4-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-N-(4-chloranyl-3-methyl-phenyl)benzamide

Systemtic Name: 4-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]-N-(4-chloranyl-3-methyl-phenyl)benzamide Openeye Name: 4-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]-N-(4-chloro-3-methyl-phenyl)benzamide CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]-N-(4-chloro-3-methylphenyl)benzamide IUPAC Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-N-(4-chloro-3-methylphenyl)benzamide Traditional Name: 4-[[4-(azepane-1-carbonyl)piperidino]methyl]-N-(4-chloro-3-methyl-phenyl)benzamide Formula: C27H34ClN3O2 MolecularWeight: 468.03076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC(CC3)C(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCC(CC3)C(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C27H34ClN3O2/c1-20-18-24(10-11-25(20)28)29-26(32)22-8-6-21(7-9-22)19-30-16-12-23(13-17-30)27(33)31-14-4-2-3-5-15-31/h6-11,18,23H,2-5,12-17,19H2,1H3,(H,29,32)