(phenylmethyl) 3-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate

Systemtic Name: (phenylmethyl) 3-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Openeye Name: benzyl 3-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate CAS Name: 3-[[[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 3-[(5-cyclohexyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid benzyl ester Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O4/c35-28-26(19-34(24-14-5-2-6-15-24)27-17-8-7-16-25(27)32-28)33-30(37)31-23-13-9-12-22(18-23)29(36)38-20-21-10-3-1-4-11-21/h1,3-4,7-13,16-18,24,26H,2,5-6,14-15,19-20H2,(H,32,35)(H2,31,33,37)