tert-butyl 4-[(3S)-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3S)-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-3-benzyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-2-oxo-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-3-benzyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-3-benzyl-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)C(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3/c1-31(2,3)38-30(37)35-19-17-34(18-20-35)26-16-10-15-24-27(23-13-8-5-9-14-23)32-25(29(36)33-28(24)26)21-22-11-6-4-7-12-22/h4-16,25H,17-21H2,1-3H3,(H,33,36)/t25-/m0/s1