tert-butyl 4,4-dimethyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4,4-dimethyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylate CAS Name: 4,4-dimethyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4,4-dimethyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydro-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-3,4-dihydro-1,4-benzodiazepin-5-yl]-4,4-dimethyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(C1)C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CCN(C(C1)C2=C3C=CC=CC3=NC(=O)C(N2)NC(=O)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H36N4O5/c1-28(2,3)38-27(36)33-16-15-29(4,5)17-22(33)23-20-13-9-10-14-21(20)30-25(34)24(31-23)32-26(35)37-18-19-11-7-6-8-12-19/h6-14,22,24,31H,15-18H2,1-5H3,(H,32,35)