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

Systemtic Name: methyl 8-(cyclohexylcarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O3/c1-37-29(36)34-17-23-12-13-24(32-28(35)22-10-6-3-7-11-22)15-27(23)33(18-25-16-30-20-31-25)19-26(34)14-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,15-16,20,22,26H,3,6-7,10-11,14,17-19H2,1H3,(H,30,31)(H,32,35)