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

Systemtic Name: 8-(cyclohexylcarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Openeye Name: 3-benzyl-8-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid CAS Name: 8-[[cyclohexyl(oxo)methyl]amino]-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid IUPAC Name: 3-benzyl-8-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Traditional Name: 3-benzyl-8-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(CN(C(CN3CC4=CN=CN4)CC5=CC=CC=C5)C(=O)O)C=C2

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(CN(C(CN3CC4=CN=CN4)CC5=CC=CC=C5)C(=O)O)C=C2

InChI

InChI=1S/C28H33N5O3/c34-27(21-9-5-2-6-10-21)31-23-12-11-22-16-33(28(35)36)25(13-20-7-3-1-4-8-20)18-32(26(22)14-23)17-24-15-29-19-30-24/h1,3-4,7-8,11-12,14-15,19,21,25H,2,5-6,9-10,13,16-18H2,(H,29,30)(H,31,34)(H,35,36)