tert-butyl 4-[(1-cyclohexyl-7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate

Systemtic Name: tert-butyl 4-[(1-cyclohexyl-7-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Openeye Name: tert-butyl 4-[(1-cyclohexyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate CAS Name: 4-[[[(1-cyclohexyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-cyclohexyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoate Traditional Name: 4-[(1-cyclohexyl-4-keto-7-methyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid tert-butyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)NC3=CC=C(C=C3)C(=O)OC(C)(C)C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)NC3=CC=C(C=C3)C(=O)OC(C)(C)C)C4CCCCC4

InChI

InChI=1S/C28H36N4O4/c1-18-10-15-24-22(16-18)30-25(33)23(17-32(24)21-8-6-5-7-9-21)31-27(35)29-20-13-11-19(12-14-20)26(34)36-28(2,3)4/h10-16,21,23H,5-9,17H2,1-4H3,(H,30,33)(H2,29,31,35)