N-(1,3-benzodioxol-5-yl)-2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C23H14F2N2O4 MolecularWeight: 420.365066

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C23H14F2N2O4/c24-13-5-7-19(18(25)9-13)27-11-17(15-3-1-2-4-16(15)23(27)29)22(28)26-14-6-8-20-21(10-14)31-12-30-20/h1-11H,12H2,(H,26,28)