N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-30-20-7-8-22(31-2)19(16-20)17-26-24(29)18-9-14-28(15-10-18)23-21(6-5-11-25-23)27-12-3-4-13-27/h3-8,11-13,16,18H,9-10,14-15,17H2,1-2H3,(H,26,29)