N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-ethoxy-4-methoxy-phenyl)methyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-ethoxy-4-methoxy-benzyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4)OC

InChI

InChI=1S/C25H30N4O3/c1-3-32-23-17-19(8-9-22(23)31-2)18-27-25(30)20-10-15-29(16-11-20)24-21(7-6-12-26-24)28-13-4-5-14-28/h4-9,12-14,17,20H,3,10-11,15-16,18H2,1-2H3,(H,27,30)