N-[(4-propan-2-yloxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-propan-2-yloxyphenyl)methyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-19(2)31-22-9-7-20(8-10-22)18-27-25(30)21-11-16-29(17-12-21)24-23(6-5-13-26-24)28-14-3-4-15-28/h3-10,13-15,19,21H,11-12,16-18H2,1-2H3,(H,27,30)