N-(1-methylcyclohexyl)-2-[5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-3-[[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbamoylamino]azepan-1-yl]ethanamide

Systemtic Name: N-(1-methylcyclohexyl)-2-[5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-3-[[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]carbamoylamino]azepan-1-yl]ethanamide Openeye Name: N-(1-methylcyclohexyl)-2-[5-(o-tolyl)-2-oxo-7-phenyl-3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoylamino]azepan-1-yl]acetamide CAS Name: N-(1-methylcyclohexyl)-2-[5-(2-methylphenyl)-2-oxo-3-[[oxo-[3-(2H-tetrazol-5-yl)anilino]methyl]amino]-7-phenyl-1-azepanyl]acetamide IUPAC Name: N-(1-methylcyclohexyl)-2-[5-(2-methylphenyl)-2-oxo-7-phenyl-3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoylamino]azepan-1-yl]acetamide Traditional Name: 2-[2-keto-5-(o-tolyl)-7-phenyl-3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoylamino]azepan-1-yl]-N-(1-methylcyclohexyl)acetamide Formula: C36H42N8O3 MolecularWeight: 634.77048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)CC(=O)NC4(CCCCC4)C)NC(=O)NC5=CC=CC(=C5)C6=NNN=N6

Isomeric SMILES

CC1=CC=CC=C1C2CC(C(=O)N(C(C2)C3=CC=CC=C3)CC(=O)NC4(CCCCC4)C)NC(=O)NC5=CC=CC(=C5)C6=NNN=N6

InChI

InChI=1S/C36H42N8O3/c1-24-12-7-8-17-29(24)27-21-30(38-35(47)37-28-16-11-15-26(20-28)33-40-42-43-41-33)34(46)44(31(22-27)25-13-5-3-6-14-25)23-32(45)39-36(2)18-9-4-10-19-36/h3,5-8,11-17,20,27,30-31H,4,9-10,18-19,21-23H2,1-2H3,(H,39,45)(H2,37,38,47)(H,40,41,42,43)