3-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

Systemtic Name: 3-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Openeye Name: 3-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide CAS Name: 3-[3-[[2-(1-azepanyl)ethylamino]-oxomethyl]phenyl]-N-(4-ethylphenyl)-1-piperidinecarboxamide IUPAC Name: 3-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Traditional Name: 3-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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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)NCCN4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)NCCN4CCCCCC4

InChI

InChI=1S/C29H40N4O2/c1-2-23-12-14-27(15-13-23)31-29(35)33-19-8-11-26(22-33)24-9-7-10-25(21-24)28(34)30-16-20-32-17-5-3-4-6-18-32/h7,9-10,12-15,21,26H,2-6,8,11,16-20,22H2,1H3,(H,30,34)(H,31,35)