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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-1-oxidanylidene-isoquinoline-4-carboxamide hydrate hydrochloride Openeye Name: N-(diaminomethylene)-2-ethyl-1-oxo-isoquinoline-4-carboxamide hydrate hydrochloride CAS Name: N-(diaminomethylidene)-2-ethyl-1-oxo-4-isoquinolinecarboxamide hydrate hydrochloride IUPAC Name: N-(diaminomethylidene)-2-ethyl-1-oxoisoquinoline-4-carboxamide hydrate hydrochloride Traditional Name: N-(diaminomethylene)-2-ethyl-1-keto-isoquinoline-4-carboxamide hydrate hydrochloride Formula: C13H17ClN4O3 MolecularWeight: 312.75208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C2C1=O)C(=O)N=C(N)N.O.Cl

Isomeric SMILES

CCN1C=C(C2=CC=CC=C2C1=O)C(=O)N=C(N)N.O.Cl

InChI

InChI=1S/C13H14N4O2.ClH.H2O/c1-2-17-7-10(11(18)16-13(14)15)8-5-3-4-6-9(8)12(17)19;;/h3-7H,2H2,1H3,(H4,14,15,16,18);1H;1H2