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

Systemtic Name: 3-[3-(azepan-1-ylcarbonyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide Openeye Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide CAS Name: 3-[3-[1-azepanyl(oxo)methyl]phenyl]-N-(4-ethoxyphenyl)-1-piperidinecarboxamide IUPAC Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide Traditional Name: 3-[3-(azepane-1-carbonyl)phenyl]-N-p-phenetyl-piperidine-1-carboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O3/c1-2-33-25-14-12-24(13-15-25)28-27(32)30-18-8-11-23(20-30)21-9-7-10-22(19-21)26(31)29-16-5-3-4-6-17-29/h7,9-10,12-15,19,23H,2-6,8,11,16-18,20H2,1H3,(H,28,32)