1-(4-methylphenyl)carbonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)carbonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-methylbenzoyl)-N-[4-(4-pyridylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-methylphenyl)-oxomethyl]-N-[4-(pyridin-4-ylmethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-methylbenzoyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-p-toluoyl-N-[4-(4-pyridylmethyl)phenyl]nipecotamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C26H27N3O2/c1-19-4-8-22(9-5-19)26(31)29-16-2-3-23(18-29)25(30)28-24-10-6-20(7-11-24)17-21-12-14-27-15-13-21/h4-15,23H,2-3,16-18H2,1H3,(H,28,30)