(E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acrylamide Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N6O3/c1-20-17-27(34-13-15-35(16-14-34)29-30-11-4-12-31-29)33-25-8-6-22(19-24(20)25)32-28(36)10-5-21-18-23(37-2)7-9-26(21)38-3/h4-12,17-19H,13-16H2,1-3H3,(H,32,36)/b10-5+