1-[4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5,6-dimethyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[5,6-dimethyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5,6-dimethyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]heptan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H34N4O/c1-5-6-7-8-9-22(29)27-14-16-28(17-15-27)24-19(3)20(4)25-23(26-24)21-12-10-18(2)11-13-21/h10-13H,5-9,14-17H2,1-4H3