2-(3-methylphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide

Systemtic Name: 2-(3-methylphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-2-(m-tolyl)acetamide CAS Name: 2-(3-methylphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]acetamide IUPAC Name: 2-(3-methylphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-2-(m-tolyl)acetamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O/c1-19-5-3-6-21(15-19)17-26(34)30-22-7-8-24-23(18-22)20(2)16-25(31-24)32-11-13-33(14-12-32)27-28-9-4-10-29-27/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,30,34)