N-[bis(azanyl)methylidene]-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-1-keto-6-methyl-2-veratryl-isoquinoline-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O4/c1-12-4-6-14-15(8-12)16(19(26)24-21(22)23)11-25(20(14)27)10-13-5-7-17(28-2)18(9-13)29-3/h4-9,11H,10H2,1-3H3,(H4,22,23,24,26)