2-(3-methylphenyl)-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenyl)-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(m-tolyl)-1-[4-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(3-methylphenyl)-1-[4-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-methylphenyl)-1-[4-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(m-tolyl)-1-[4-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCC(CC2)C3=NC=NC=C3C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCC(CC2)C3=NC=NC=C3C4=CC=NC=C4

InChI

InChI=1S/C23H24N4O/c1-17-3-2-4-18(13-17)14-22(28)27-11-7-20(8-12-27)23-21(15-25-16-26-23)19-5-9-24-10-6-19/h2-6,9-10,13,15-16,20H,7-8,11-12,14H2,1H3