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

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]nonan-1-one Formula: C32H42N4O MolecularWeight: 498.70208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C32H42N4O/c1-4-5-6-7-8-12-18-30(37)35-19-21-36(22-20-35)32-29(24-27-15-10-9-11-16-27)26(3)33-31(34-32)28-17-13-14-25(2)23-28/h9-11,13-17,23H,4-8,12,18-22,24H2,1-3H3