[2-methyl-8-(4-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-methyl-8-(4-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-methyl-8-(p-tolyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-methyl-8-(4-methylphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-methyl-8-(4-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-methyl-8-(p-tolyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3C(=O)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C26H25N5O/c1-18-7-9-20(10-8-18)21-5-3-6-22-23(17-19(2)29-24(21)22)25(32)30-13-15-31(16-14-30)26-27-11-4-12-28-26/h3-12,17H,13-16H2,1-2H3