(4-methylphenyl)-[3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]piperidin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]piperidin-1-yl]methanone Openeye Name: p-tolyl-[3-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-piperidyl]methanone CAS Name: (4-methylphenyl)-[3-[3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]-1-piperidinyl]methanone IUPAC Name: (4-methylphenyl)-[3-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone Traditional Name: p-tolyl-[3-[3-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]piperidino]methanone Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H31N5O2/c1-21-8-10-22(11-9-21)26(34)33-14-3-7-25(20-33)23-5-2-6-24(19-23)27(35)31-15-17-32(18-16-31)28-29-12-4-13-30-28/h2,4-6,8-13,19,25H,3,7,14-18,20H2,1H3