(4-methylphenyl)-[2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (4-methylphenyl)-[2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: [2-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazine-1-carbonyl]phenyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[2-[oxo-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: (4-methylphenyl)-[2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: [2-[4-(6-piperidinopyrimidin-4-yl)piperazine-1-carbonyl]phenyl]-(p-tolyl)methanone Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCCC5

InChI

InChI=1S/C28H31N5O2/c1-21-9-11-22(12-10-21)27(34)23-7-3-4-8-24(23)28(35)33-17-15-32(16-18-33)26-19-25(29-20-30-26)31-13-5-2-6-14-31/h3-4,7-12,19-20H,2,5-6,13-18H2,1H3