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

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-pyrrolidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-pyrrolidin-1-ylphenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1-pyrrolidinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-pyrrolidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-piperonyl-4-(4-pyrrolidinobenzylidene)isoquinoline-1,3-quinone Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C/3\C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H24N2O4/c31-27-23-6-2-1-5-22(23)24(15-19-7-10-21(11-8-19)29-13-3-4-14-29)28(32)30(27)17-20-9-12-25-26(16-20)34-18-33-25/h1-2,5-12,15-16H,3-4,13-14,17-18H2/b24-15+