N-(4-methylcyclohexyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-methylcyclohexyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(4-methylcyclohexyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-methylcyclohexyl)isonipecotamide Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c1-17-7-9-20(10-8-17)26-22(29)18-12-15-28(16-13-18)23-24-14-11-21(27-23)25-19-5-3-2-4-6-19/h2-6,11,14,17-18,20H,7-10,12-13,15-16H2,1H3,(H,26,29)(H,24,25,27)