N-[2-(4-methylphenyl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-[2-(p-tolyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-[2-(4-methylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-[2-(p-tolyl)ethyl]isonipecotamide Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c1-19-7-9-20(10-8-19)11-15-26-24(31)21-13-17-30(18-14-21)25-27-16-12-23(29-25)28-22-5-3-2-4-6-22/h2-10,12,16,21H,11,13-15,17-18H2,1H3,(H,26,31)(H,27,28,29)