N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxybenzoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[(2-methoxyphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxybenzoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-o-anisoyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Formula: C28H33N5O3 MolecularWeight: 487.59332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

InChI

InChI=1S/C28H33N5O3/c1-36-26-10-6-5-9-24(26)28(35)33-14-13-32(18-23-16-29-19-30-23)25-15-22(12-11-21(25)17-33)31-27(34)20-7-3-2-4-8-20/h5-6,9-12,15-16,19-20H,2-4,7-8,13-14,17-18H2,1H3,(H,29,30)(H,31,34)