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

Systemtic Name: 3-[[3-[5-(2-methylphenyl)-2-pyridin-4-yl-pyrimidin-4-yl]piperidin-1-yl]methyl]chromen-4-one Openeye Name: 3-[[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]methyl]chromen-4-one CAS Name: 3-[[3-[5-(2-methylphenyl)-2-pyridin-4-yl-4-pyrimidinyl]-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[3-[5-(2-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-[[3-[5-(o-tolyl)-2-(4-pyridyl)pyrimidin-4-yl]piperidino]methyl]chromone Formula: C31H28N4O2 MolecularWeight: 488.57962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)CC4=COC5=CC=CC=C5C4=O)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2C3CCCN(C3)CC4=COC5=CC=CC=C5C4=O)C6=CC=NC=C6

InChI

InChI=1S/C31H28N4O2/c1-21-7-2-3-9-25(21)27-17-33-31(22-12-14-32-15-13-22)34-29(27)23-8-6-16-35(18-23)19-24-20-37-28-11-5-4-10-26(28)30(24)36/h2-5,7,9-15,17,20,23H,6,8,16,18-19H2,1H3