N-[bis(azanyl)methylidene]-2-[1-(3,4-dimethoxyphenyl)ethyl]-1-oxidanylidene-isoquinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

InChI

InChI=1S/C21H22N4O4/c1-12(13-8-9-17(28-2)18(10-13)29-3)25-11-16(19(26)24-21(22)23)14-6-4-5-7-15(14)20(25)27/h4-12H,1-3H3,(H4,22,23,24,26)