tert-butyl 3-[(5-cyclopentyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate

Systemtic Name: tert-butyl 3-[(5-cyclopentyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Openeye Name: tert-butyl 3-[(5-cyclopentyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate CAS Name: 3-[[[(5-cyclopentyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-cyclopentyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 3-[(5-cyclopentyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid tert-butyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCC4

InChI

InChI=1S/C26H32N4O4/c1-26(2,3)34-24(32)17-9-8-10-18(15-17)27-25(33)29-21-16-30(19-11-4-5-12-19)22-14-7-6-13-20(22)28-23(21)31/h6-10,13-15,19,21H,4-5,11-12,16H2,1-3H3,(H,28,31)(H2,27,29,33)