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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-morpholin-4-ylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-morpholinophenyl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(4-morpholinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-morpholin-4-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(4-morpholinobenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C28H24N2O5 MolecularWeight: 468.50056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H24N2O5/c31-27-23-4-2-1-3-22(23)24(15-19-5-8-21(9-6-19)29-11-13-33-14-12-29)28(32)30(27)17-20-7-10-25-26(16-20)35-18-34-25/h1-10,15-16H,11-14,17-18H2