3-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pentane-1,2-dione

Systemtic Name: 3-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pentane-1,2-dione Openeye Name: 3-methyl-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]-1-piperidyl]pentane-1,2-dione CAS Name: 3-methyl-1-[3-[2-methyl-5-(3-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]pentane-1,2-dione IUPAC Name: 3-methyl-1-[3-[2-methyl-5-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]pentane-1,2-dione Traditional Name: 3-methyl-1-[3-[2-methyl-5-(m-tolyl)pyrimidin-4-yl]piperidino]pentane-1,2-dione Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)C)C

Isomeric SMILES

CCC(C)C(=O)C(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)C)C

InChI

InChI=1S/C23H29N3O2/c1-5-16(3)22(27)23(28)26-11-7-10-19(14-26)21-20(13-24-17(4)25-21)18-9-6-8-15(2)12-18/h6,8-9,12-13,16,19H,5,7,10-11,14H2,1-4H3