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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acrylamide Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)OC)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)OC)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H28N6O2/c1-20-18-26(33-14-16-34(17-15-33)28-29-12-3-13-30-28)32-25-10-7-22(19-24(20)25)31-27(35)11-6-21-4-8-23(36-2)9-5-21/h3-13,18-19H,14-17H2,1-2H3,(H,31,35)/b11-6+