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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(2,3-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/c1-20-18-26(34-14-16-35(17-15-34)29-30-12-5-13-31-29)33-24-10-9-22(19-23(20)24)32-27(36)11-8-21-6-4-7-25(37-2)28(21)38-3/h4-13,18-19H,14-17H2,1-3H3,(H,32,36)/b11-8+