For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[ .alpha.-(3'-Methyl-5'-oxo-1'-phenyl-2'-pyrazolin-4'-yl)benzyl]-1,2,5,6-dihydro-(1,5)-benzodiazepin-2-one
SpectraBase Compound ID Dqqcls8KXPu
InChI InChI=1S/C27H24N4O2/c1-17-23(26(32)29-22-16-10-9-15-21(22)28-17)25(19-11-5-3-6-12-19)24-18(2)30-31(27(24)33)20-13-7-4-8-14-20/h3-16,23-25H,1-2H3,(H,29,32)/t23-,24-,25-/m1/s1
InChIKey WMAAXZDVDFONOY-UBFVSLLYSA-N
Mol Weight 436.52 g/mol
Molecular Formula C27H24N4O2
Exact Mass 436.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4lFv1is90Xx
Name 4-[ .alpha.-(3'-Methyl-5'-oxo-1'-phenyl-2'-pyrazolin-4'-yl)benzyl]-1,2,5,6-dihydro-(1,5)-benzodiazepin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N4O2
InChI InChI=1S/C27H24N4O2/c1-17-23(26(32)29-22-16-10-9-15-21(22)28-17)25(19-11-5-3-6-12-19)24-18(2)30-31(27(24)33)20-13-7-4-8-14-20/h3-16,23-25H,1-2H3,(H,29,32)/t23-,24-,25-/m1/s1
InChIKey WMAAXZDVDFONOY-UBFVSLLYSA-N
Molecular Weight 436.515 g/mol
SMILES N1c2ccccc2N=C([C@@](C1=O)([C@]([C@@]1(C(N(c2ccccc2)N=C1C)=O)[H])(c1ccccc1)[H])[H])C
SPLASH splash10-0006-0910000000-86a5fe0708a1aa54420f
Source of Spectrum SK-31-1341-11
Synonyms (S)-4-Methyl-3-[(R)-((S)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-phenyl-methyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one (3S)-4-methyl-3-[(R)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenylmethyl]-1,3-dihydro-1,5-benzodiazepin-2-one (3S)-4-methyl-3-[(R)-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-1,3-dihydro-1,5-benzodiazepin-2-one (3S)-4-methyl-3-[(R)-[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]-phenyl-methyl]-1,3-dihydro-1,5-benzodiazepin-2-one
Wiley ID 882029