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

Systemtic Name: tert-butyl 4-[(3S)-2-oxidanylidene-3-phenethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3S)-2-oxo-3-phenethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-2-oxo-3-phenethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3S)-2-oxo-3-phenethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-2-keto-3-phenethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-9-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H36N4O3 MolecularWeight: 524.65324

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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)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O3/c1-32(2,3)39-31(38)36-21-19-35(20-22-36)27-16-10-15-25-28(24-13-8-5-9-14-24)33-26(30(37)34-29(25)27)18-17-23-11-6-4-7-12-23/h4-16,26H,17-22H2,1-3H3,(H,34,37)/t26-/m0/s1