N-(2-methylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-methylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]-N-(o-tolyl)piperazine-1-carboxamide CAS Name: N-(2-methylphenyl)-4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-methylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: 4-[6-(4-methylpiperidino)pyrimidin-4-yl]-N-(o-tolyl)piperazine-1-carboxamide Formula: C22H30N6O MolecularWeight: 394.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C22H30N6O/c1-17-7-9-26(10-8-17)20-15-21(24-16-23-20)27-11-13-28(14-12-27)22(29)25-19-6-4-3-5-18(19)2/h3-6,15-17H,7-14H2,1-2H3,(H,25,29)