tert-butyl 2-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 2-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 3-benzyl-2-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 2-[[(cyclohexylamino)-oxomethyl]amino]-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-2-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-2-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C32H42N6O3 MolecularWeight: 558.71428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2N(C(C1CC3=CC=CC=C3)NC(=O)NC4CCCCC4)CC5=CN=CN5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2N(C(C1CC3=CC=CC=C3)NC(=O)NC4CCCCC4)CC5=CN=CN5

InChI

InChI=1S/C32H42N6O3/c1-32(2,3)41-31(40)38-20-24-14-10-11-17-27(24)37(21-26-19-33-22-34-26)29(28(38)18-23-12-6-4-7-13-23)36-30(39)35-25-15-8-5-9-16-25/h4,6-7,10-14,17,19,22,25,28-29H,5,8-9,15-16,18,20-21H2,1-3H3,(H,33,34)(H2,35,36,39)