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1017241-34-7,MFCD21363737
Catalog No.:AA00058U
1017241-34-7 | 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(4-methyl-1-piperazinyl)-3-(2-oxopropylidene)-, (3Z)-
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Technical Information
Catalog Number:
AA00058U
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(4-methyl-1-piperazinyl)-3-(2-oxopropylidene)-, (3Z)-
CAS Number:
1017241-34-7
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
MDL Number:
MFCD21363737
IUPAC Name:
3-[(Z)-2-hydroxyprop-1-enyl]-4-(4-methylpiperazin-1-yl)-1,5-benzodiazepin-2-one
InChI:
InChI=1S/C17H20N4O2/c1-12(22)11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)23/h3-6,11,22H,7-10H2,1-2H3/b12-11-
InChI Key:
CVKVZGLTQPNIEY-QXMHVHEDSA-N
SMILES:
CN1CCN(CC1)c1nc2ccccc2[nH]c(=O)/c/1=C\C(=O)C
Properties
Computed Properties
 
Complexity:
702  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
Olanzapine Lactam Impurity 
1017241-34-7 
(Z)-4-(4-Methylpiperazin-1-yl)-3-(2-oxopropylidene)-1H-benzo[b][1,4]diazepin-2(3H)-one 
RT-017505 
J-000486 
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(4-methyl-1-piperazinyl)-3-(2-oxopropylidene)-, (3Z)- 
Literature
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