N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(3-ethoxybenzyl)isonipecotamide Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37N3O3/c1-2-34-24-11-9-10-22(20-24)21-30-18-14-23(15-19-30)27(32)29-26-13-6-5-12-25(26)28(33)31-16-7-3-4-8-17-31/h5-6,9-13,20,23H,2-4,7-8,14-19,21H2,1H3,(H,29,32)