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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-(2-phenylpyridin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[oxo-(2-phenyl-4-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-(2-phenylpyridine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-(2-phenylisonicotinoyl)isonipecotamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-2-33-25-11-7-6-10-23(25)19-29-26(31)21-13-16-30(17-14-21)27(32)22-12-15-28-24(18-22)20-8-4-3-5-9-20/h3-12,15,18,21H,2,13-14,16-17,19H2,1H3,(H,29,31)