2-(1,3-benzodioxol-5-ylmethyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(6-methyl-2-pyridyl)amino]methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(6-methyl-2-pyridinyl)amino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(6-methylpyridin-2-yl)amino]methylidene]isoquinoline-1,3-dione Traditional Name: 4-[[(6-methyl-2-pyridyl)amino]methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19N3O4/c1-15-5-4-8-22(26-15)25-12-19-17-6-2-3-7-18(17)23(28)27(24(19)29)13-16-9-10-20-21(11-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,25,26)