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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N2O5/c1-29-17-9-7-16(8-10-17)26-13-20(18-4-2-3-5-19(18)24(26)28)23(27)25-15-6-11-21-22(12-15)31-14-30-21/h2-13H,14H2,1H3,(H,25,27)