N-[(4-butoxyphenyl)methyl]-1-(2-phenylpyridin-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-butoxyphenyl)methyl]-1-(2-phenylpyridin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-butoxyphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-butoxyphenyl)methyl]-1-[oxo-(2-phenyl-4-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-butoxybenzyl)-1-(2-phenylisonicotinoyl)isonipecotamide Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O3/c1-2-3-19-35-26-11-9-22(10-12-26)21-31-28(33)24-14-17-32(18-15-24)29(34)25-13-16-30-27(20-25)23-7-5-4-6-8-23/h4-13,16,20,24H,2-3,14-15,17-19,21H2,1H3,(H,31,33)