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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H38N4O/c1-5-7-8-9-10-14-24(31)29-15-17-30(18-16-29)26-23(6-2)21(4)27-25(28-26)22-13-11-12-20(3)19-22/h11-13,19H,5-10,14-18H2,1-4H3