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

Systemtic Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]nonan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O/c1-5-7-8-9-10-11-15-25(32)30-16-18-31(19-17-30)27-24(6-2)22(4)28-26(29-27)23-14-12-13-21(3)20-23/h12-14,20H,5-11,15-19H2,1-4H3