N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-fluorophenyl)-6-keto-1-(4-methoxyphenyl)nipecotamide Formula: C28H36FN3O3 MolecularWeight: 481.602143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NCCCN3CCCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)NCCCN3CCCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H36FN3O3/c1-35-24-13-11-23(12-14-24)32-26(33)16-15-25(27(32)21-7-9-22(29)10-8-21)28(34)30-17-6-20-31-18-4-2-3-5-19-31/h7-14,25,27H,2-6,15-20H2,1H3,(H,30,34)