4-(azepan-1-ylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide CAS Name: 4-(1-azepanylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]-1-piperidinecarboxamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[4-methoxy-2-(trifluoromethyl)phenyl]piperidine-1-carboxamide Formula: C21H30F3N3O2 MolecularWeight: 413.47701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3O2/c1-29-17-6-7-19(18(14-17)21(22,23)24)25-20(28)27-12-8-16(9-13-27)15-26-10-4-2-3-5-11-26/h6-7,14,16H,2-5,8-13,15H2,1H3,(H,25,28)