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

Systemtic Name: N-[bis(azanyl)methylidene]-2-(3-fluorophenyl)-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-(3-fluorophenyl)-6-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-(3-fluorophenyl)-6-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-(3-fluorophenyl)-6-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-2-(3-fluorophenyl)-1-keto-6-methyl-isoquinoline-4-carboxamide Formula: C18H15FN4O2 MolecularWeight: 338.335703

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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=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O2/c1-10-5-6-13-14(7-10)15(16(24)22-18(20)21)9-23(17(13)25)12-4-2-3-11(19)8-12/h2-9H,1H3,(H4,20,21,22,24)