tert-butyl 8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 3-benzyl-8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 8-[[(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-8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-8-(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=C(C=C(C=C2)NC(=O)NC3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

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