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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]acrylamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C28H26N6O3/c1-19-15-26(33-11-13-34(14-12-33)28-29-9-2-10-30-28)32-23-6-5-21(17-22(19)23)31-27(35)8-4-20-3-7-24-25(16-20)37-18-36-24/h2-10,15-17H,11-14,18H2,1H3,(H,31,35)/b8-4+