[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H34N4O/c1-4-5-6-9-23-11-13-24(14-12-23)28(33)32-17-15-31(16-18-32)26-20-22(3)29-27(30-26)25-10-7-8-21(2)19-25/h7-8,10-14,19-20H,4-6,9,15-18H2,1-3H3