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

Systemtic Name: 3-(4-methylphenyl)-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]-3-(p-tolyl)propan-1-one CAS Name: 3-(4-methylphenyl)-1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)-1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]-3-(p-tolyl)propan-1-one Formula: C30H30N4O MolecularWeight: 462.5854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC(=NC=C3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C30H30N4O/c1-22-9-11-23(12-10-22)13-14-28(35)34-18-15-25(16-19-34)29-27(24-6-3-2-4-7-24)21-32-30(33-29)26-8-5-17-31-20-26/h2-12,17,20-21,25H,13-16,18-19H2,1H3