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

Systemtic Name: tert-butyl 8-(cyclohexylcarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 3-benzyl-8-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 8-[[cyclohexyl(oxo)methyl]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-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-8-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C32H41N5O3 MolecularWeight: 543.69964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)NC(=O)C3CCCCC3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C32H41N5O3/c1-32(2,3)40-31(39)37-19-25-14-15-26(35-30(38)24-12-8-5-9-13-24)17-29(25)36(20-27-18-33-22-34-27)21-28(37)16-23-10-6-4-7-11-23/h4,6-7,10-11,14-15,17-18,22,24,28H,5,8-9,12-13,16,19-21H2,1-3H3,(H,33,34)(H,35,38)