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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N.Cl

Isomeric SMILES

C1CCC(CC1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N.Cl

InChI

InChI=1S/C17H20N4O2.ClH/c18-17(19)20-15(22)14-10-21(11-6-2-1-3-7-11)16(23)13-9-5-4-8-12(13)14;/h4-5,8-11H,1-3,6-7H2,(H4,18,19,20,22);1H