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

Systemtic Name: (E)-3-(4-methylphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-3-(p-tolyl)acrylamide Formula: C28H28N6O MolecularWeight: 464.56152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N6O/c1-20-4-6-22(7-5-20)8-11-27(35)31-23-9-10-25-24(19-23)21(2)18-26(32-25)33-14-16-34(17-15-33)28-29-12-3-13-30-28/h3-13,18-19H,14-17H2,1-2H3,(H,31,35)/b11-8+