1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]heptan-1-one Formula: C26H38N4O MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O/c1-6-7-8-9-13-23(31)29-14-16-30(17-15-29)26-24(19(2)3)21(5)27-25(28-26)22-12-10-11-20(4)18-22/h10-12,18-19H,6-9,13-17H2,1-5H3