methyl (2S)-3-oxidanylidene-4-(phenylmethyl)-2-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate

Systemtic Name: methyl (2S)-3-oxidanylidene-4-(phenylmethyl)-2-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Openeye Name: methyl (2S)-4-benzyl-2-isopropyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate CAS Name: (2S)-3-oxo-4-(phenylmethyl)-2-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-benzyl-3-oxo-2-propan-2-yl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylate Traditional Name: (2S)-4-benzyl-2-isopropyl-3-keto-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-14(2)19-20(24)23(12-15-7-5-4-6-8-15)13-17-11-16(21(25)26-3)9-10-18(17)22-19/h4-11,14,19,22H,12-13H2,1-3H3/t19-/m0/s1