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

Systemtic Name: 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C31H38N4O MolecularWeight: 482.65962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CCC4CCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)CCC4CCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H38N4O/c1-23-12-15-27(16-13-23)30-32-24(2)28(22-26-10-4-3-5-11-26)31(33-30)35-20-18-34(19-21-35)29(36)17-14-25-8-6-7-9-25/h3-5,10-13,15-16,25H,6-9,14,17-22H2,1-2H3