N-[(3-methoxyphenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-[(3-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-m-anisyl-isonipecotamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-31-21-9-5-6-18(16-21)17-26-23(30)19-11-14-29(15-12-19)24-25-13-10-22(28-24)27-20-7-3-2-4-8-20/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,26,30)(H,25,27,28)