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

Systemtic Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxy-3-methyl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Openeye Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxy-3-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide CAS Name: N-[1-(1H-imidazol-5-ylmethyl)-4-[(2-methoxy-3-methylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide IUPAC Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxy-3-methylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-4-(2-methoxy-3-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepin-8-yl]cyclohexanecarboxamide Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2CCN(C3=C(C2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

InChI

InChI=1S/C29H35N5O3/c1-20-7-6-10-25(27(20)37-2)29(36)34-14-13-33(18-24-16-30-19-31-24)26-15-23(12-11-22(26)17-34)32-28(35)21-8-4-3-5-9-21/h6-7,10-12,15-16,19,21H,3-5,8-9,13-14,17-18H2,1-2H3,(H,30,31)(H,32,35)