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

Systemtic Name: tert-butyl 3-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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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)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCCC4

InChI

InChI=1S/C27H34N4O4/c1-27(2,3)35-25(33)18-10-9-11-19(16-18)28-26(34)30-22-17-31(20-12-5-4-6-13-20)23-15-8-7-14-21(23)29-24(22)32/h7-11,14-16,20,22H,4-6,12-13,17H2,1-3H3,(H,29,32)(H2,28,30,34)