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

Systemtic Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]heptan-1-one Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O/c1-4-5-6-10-13-28(35)33-18-20-34(21-19-33)30-27(22-25-11-8-7-9-12-25)24(3)31-29(32-30)26-16-14-23(2)15-17-26/h7-9,11-12,14-17H,4-6,10,13,18-22H2,1-3H3