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

Systemtic Name: tert-butyl 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(benzyloxycarbonylamino)-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate CAS Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-1-propyl-3H-1,4-benzodiazepin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N4O5/c1-5-18-33-23-16-10-9-15-22(23)25(24-17-11-12-19-34(24)29(37)39-30(2,3)4)31-26(27(33)35)32-28(36)38-20-21-13-7-6-8-14-21/h6-10,13-16,24,26H,5,11-12,17-20H2,1-4H3,(H,32,36)