N-[bis(azanyl)methylidene]-7-(3,4-dimethylphenyl)-2,3-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-7-(3,4-dimethylphenyl)-2,3-dimethoxy-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-7-(3,4-dimethylphenyl)-2,3-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-7-(3,4-dimethylphenyl)-2,3-dimethoxy-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-7-(3,4-dimethylphenyl)-2,3-dimethoxy-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-7-(3,4-dimethylphenyl)-1-keto-2,3-dimethoxy-isoquinoline-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C(=C(N(C3=O)OC)OC)C(=O)N=C(N)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C(=C(N(C3=O)OC)OC)C(=O)N=C(N)N)C

InChI

InChI=1S/C21H22N4O4/c1-11-5-6-13(9-12(11)2)14-7-8-15-16(10-14)19(27)25(29-4)20(28-3)17(15)18(26)24-21(22)23/h5-10H,1-4H3,(H4,22,23,24,26)