N-[bis(azanyl)methylidene]-2-isoquinolin-5-yl-5-methyl-1,2,3-triazole-4-carboxamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-2-isoquinolin-5-yl-5-methyl-1,2,3-triazole-4-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-2-(5-isoquinolyl)-5-methyl-triazole-4-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-2-(5-isoquinolinyl)-5-methyl-4-triazolecarboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-2-isoquinolin-5-yl-5-methyltriazole-4-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-2-(5-isoquinolyl)-5-methyl-triazole-4-carboxamide hydrochloride Formula: C14H14ClN7O MolecularWeight: 331.76026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N=C(N)N)C2=CC=CC3=C2C=CN=C3.Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)N=C(N)N)C2=CC=CC3=C2C=CN=C3.Cl

InChI

InChI=1S/C14H13N7O.ClH/c1-8-12(13(22)18-14(15)16)20-21(19-8)11-4-2-3-9-7-17-6-5-10(9)11;/h2-7H,1H3,(H4,15,16,18,22);1H