1-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[5-(2-methylphenyl)-2-pyridin-3-yl-pyrimidin-4-yl]piperidin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-4-phenyl-butan-1-one CAS Name: 1-[4-[5-(2-methylphenyl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[5-(2-methylphenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[5-(o-tolyl)-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-4-phenyl-butan-1-one Formula: C31H32N4O MolecularWeight: 476.61198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCN(CC3)C(=O)CCCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C31H32N4O/c1-23-9-5-6-14-27(23)28-22-33-31(26-13-8-18-32-21-26)34-30(28)25-16-19-35(20-17-25)29(36)15-7-12-24-10-3-2-4-11-24/h2-6,8-11,13-14,18,21-22,25H,7,12,15-17,19-20H2,1H3