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

Systemtic Name: (E)-3-(2-ethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(2-ethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(2-ethoxyphenyl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(2-ethoxyphenyl)-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-o-phenetyl-acrylamide Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C29H30N6O2/c1-3-37-26-8-5-4-7-22(26)9-12-28(36)32-23-10-11-25-24(20-23)21(2)19-27(33-25)34-15-17-35(18-16-34)29-30-13-6-14-31-29/h4-14,19-20H,3,15-18H2,1-2H3,(H,32,36)/b12-9+