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

Systemtic Name: N-[bis(azanyl)methylidene]-2-cyclopentyl-6-methyl-1-oxidanylidene-isoquinoline-4-carboxamide hydrochloride Openeye Name: 2-cyclopentyl-N-(diaminomethylene)-6-methyl-1-oxo-isoquinoline-4-carboxamide hydrochloride CAS Name: 2-cyclopentyl-N-(diaminomethylidene)-6-methyl-1-oxo-4-isoquinolinecarboxamide hydrochloride IUPAC Name: 2-cyclopentyl-N-(diaminomethylidene)-6-methyl-1-oxoisoquinoline-4-carboxamide hydrochloride Traditional Name: 2-cyclopentyl-N-(diaminomethylene)-1-keto-6-methyl-isoquinoline-4-carboxamide hydrochloride Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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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)C3CCCC3.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=C2C(=O)N=C(N)N)C3CCCC3.Cl

InChI

InChI=1S/C17H20N4O2.ClH/c1-10-6-7-12-13(8-10)14(15(22)20-17(18)19)9-21(16(12)23)11-4-2-3-5-11;/h6-9,11H,2-5H2,1H3,(H4,18,19,20,22);1H