N-[bis(azanyl)methylidene]-2-(chloromethyl)-1-oxidanylidene-isoquinoline-4-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-2-(chloromethyl)-1-oxidanylidene-isoquinoline-4-carboxamide hydrochloride Openeye Name: 2-(chloromethyl)-N-(diaminomethylene)-1-oxo-isoquinoline-4-carboxamide hydrochloride CAS Name: 2-(chloromethyl)-N-(diaminomethylidene)-1-oxo-4-isoquinolinecarboxamide hydrochloride IUPAC Name: 2-(chloromethyl)-N-(diaminomethylidene)-1-oxoisoquinoline-4-carboxamide hydrochloride Traditional Name: 2-(chloromethyl)-N-(diaminomethylene)-1-keto-isoquinoline-4-carboxamide hydrochloride Formula: C12H12Cl2N4O2 MolecularWeight: 315.15528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CCl)C(=O)N=C(N)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CCl)C(=O)N=C(N)N.Cl

InChI

InChI=1S/C12H11ClN4O2.ClH/c13-6-17-5-9(10(18)16-12(14)15)7-3-1-2-4-8(7)11(17)19;/h1-5H,6H2,(H4,14,15,16,18);1H