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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(3-methylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(m-toluidinomethylene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c1-16-5-4-6-18(11-16)26-13-21-19-7-2-3-8-20(19)24(28)27(25(21)29)14-17-9-10-22-23(12-17)31-15-30-22/h2-13,26H,14-15H2,1H3