[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone

Systemtic Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Openeye Name: [4-[6-methyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone CAS Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-(4-pentylphenyl)methanone IUPAC Name: [4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-[4-[6-methyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C35H40N4O MolecularWeight: 532.7183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC(=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC(=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C35H40N4O/c1-4-5-7-12-28-16-18-31(19-17-28)35(40)39-22-20-38(21-23-39)34-32(25-29-13-10-11-26(2)24-29)27(3)36-33(37-34)30-14-8-6-9-15-30/h6,8-11,13-19,24H,4-5,7,12,20-23,25H2,1-3H3