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

Systemtic Name: N-(1-methylpiperidin-4-yl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(1-methyl-4-piperidyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(1-methyl-4-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(1-methyl-4-piperidyl)isonipecotamide Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O/c1-27-13-10-19(11-14-27)25-21(29)17-8-15-28(16-9-17)22-23-12-7-20(26-22)24-18-5-3-2-4-6-18/h2-7,12,17,19H,8-11,13-16H2,1H3,(H,25,29)(H,23,24,26)