[6-chloranyl-2-(2-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [6-chloranyl-2-(2-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [6-chloro-2-(o-tolyl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [6-chloro-2-(2-methylphenyl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [6-chloro-2-(2-methylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [6-chloro-2-(o-tolyl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H22ClN5O MolecularWeight: 443.92808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H22ClN5O/c1-17-5-2-3-6-19(17)23-16-21(20-15-18(26)7-8-22(20)29-23)24(32)30-11-13-31(14-12-30)25-27-9-4-10-28-25/h2-10,15-16H,11-14H2,1H3