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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-dimethylaminoethylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-dimethylaminoethylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-dimethylaminoethylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-dimethylaminoethylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(2-dimethylaminoethylamino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC=C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CCNC=C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4/c1-24(2)10-9-23-12-18-16-5-3-4-6-17(16)21(26)25(22(18)27)13-15-7-8-19-20(11-15)29-14-28-19/h3-8,11-12,23H,9-10,13-14H2,1-2H3