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

Systemtic Name: 2-(3-methylphenoxy)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acetamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O2/c1-19-5-3-6-22(15-19)35-18-26(34)30-21-7-8-24-23(17-21)20(2)16-25(31-24)32-11-13-33(14-12-32)27-28-9-4-10-29-27/h3-10,15-17H,11-14,18H2,1-2H3,(H,30,34)