N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxamide Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H20N2O4/c1-15-7-9-18(11-16(15)2)27-13-21(19-5-3-4-6-20(19)25(27)29)24(28)26-17-8-10-22-23(12-17)31-14-30-22/h3-13H,14H2,1-2H3,(H,26,28)