1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]heptan-1-one Formula: C23H32N4O MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O/c1-4-5-6-7-11-22(28)27-14-12-26(13-15-27)21-17-19(3)24-23(25-21)20-10-8-9-18(2)16-20/h8-10,16-17H,4-7,11-15H2,1-3H3