N-[bis(azanyl)methylidene]-1-oxidanylidene-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-oxidanylidene-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-1-oxo-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-1-oxo-2-(3,4,5-trimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-1-oxo-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-1-keto-2-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

InChI

InChI=1S/C20H20N4O5/c1-27-15-8-11(9-16(28-2)17(15)29-3)24-10-14(18(25)23-20(21)22)12-6-4-5-7-13(12)19(24)26/h4-10H,1-3H3,(H4,21,22,23,25)