tert-butyl 4-[(3R)-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R)-2-oxidanylidene-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-3-benzyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate CAS Name: 4-[(3R)-2-oxo-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-8-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R)-3-benzyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-3-benzyl-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-8-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=CC3=C(C=C2)C(=NC(C(=O)N3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=N[C@@H](C(=O)N3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3/c1-31(2,3)38-30(37)35-18-16-34(17-19-35)24-14-15-25-26(21-24)33-29(36)27(20-22-10-6-4-7-11-22)32-28(25)23-12-8-5-9-13-23/h4-15,21,27H,16-20H2,1-3H3,(H,33,36)/t27-/m1/s1