(4Z)-4-[(4-butoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Openeye Name: (4Z)-4-[(4-butoxyphenyl)methylene]-2-(o-tolyl)isoquinoline-1,3-dione CAS Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione Traditional Name: (4Z)-4-(4-butoxybenzylidene)-2-(o-tolyl)isoquinoline-1,3-quinone Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H25NO3/c1-3-4-17-31-21-15-13-20(14-16-21)18-24-22-10-6-7-11-23(22)26(29)28(27(24)30)25-12-8-5-9-19(25)2/h5-16,18H,3-4,17H2,1-2H3/b24-18-