3-[3-(azepan-1-ylcarbonyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

Systemtic Name: 3-[3-(azepan-1-ylcarbonyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Openeye Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide CAS Name: 3-[3-[1-azepanyl(oxo)methyl]phenyl]-N-(4-ethylphenyl)-1-piperidinecarboxamide IUPAC Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Traditional Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-2-21-12-14-25(15-13-21)28-27(32)30-18-8-11-24(20-30)22-9-7-10-23(19-22)26(31)29-16-5-3-4-6-17-29/h7,9-10,12-15,19,24H,2-6,8,11,16-18,20H2,1H3,(H,28,32)