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

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]acrylamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-17-13-24(29-11-9-28(2)10-12-29)27-21-6-5-19(15-20(17)21)26-25(30)8-4-18-3-7-22-23(14-18)32-16-31-22/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,30)/b8-4+