N-[bis(azanyl)methylidene]-2-(4-bromanyl-2,6-dimethyl-phenyl)-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-(4-bromanyl-2,6-dimethyl-phenyl)-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenyl)-N-(diaminomethylene)-6-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-bromo-2,6-dimethylphenyl)-N-(diaminomethylidene)-6-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenyl)-N-(diaminomethylidene)-6-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenyl)-N-(diaminomethylene)-1-keto-6-methyl-isoquinoline-4-carboxamide Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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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)C3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)C3=C(C=C(C=C3C)Br)C

InChI

InChI=1S/C20H19BrN4O2/c1-10-4-5-14-15(6-10)16(18(26)24-20(22)23)9-25(19(14)27)17-11(2)7-13(21)8-12(17)3/h4-9H,1-3H3,(H4,22,23,24,26)