N-[bis(azanyl)methylidene]-2-(2-methoxy-4-methyl-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide dihydrate hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-2-(2-methoxy-4-methyl-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide dihydrate hydrochloride Openeye Name: N-(diaminomethylene)-2-(2-methoxy-4-methyl-phenyl)-1-oxo-isoquinoline-4-carboxamide dihydrate hydrochloride CAS Name: N-(diaminomethylidene)-2-(2-methoxy-4-methylphenyl)-1-oxo-4-isoquinolinecarboxamide dihydrate hydrochloride IUPAC Name: N-(diaminomethylidene)-2-(2-methoxy-4-methylphenyl)-1-oxoisoquinoline-4-carboxamide dihydrate hydrochloride Traditional Name: N-(diaminomethylene)-1-keto-2-(2-methoxy-4-methyl-phenyl)isoquinoline-4-carboxamide dihydrate hydrochloride Formula: C19H23ClN4O5 MolecularWeight: 422.86272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N)OC.O.O.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N)OC.O.O.Cl

InChI

InChI=1S/C19H18N4O3.ClH.2H2O/c1-11-7-8-15(16(9-11)26-2)23-10-14(17(24)22-19(20)21)12-5-3-4-6-13(12)18(23)25;;;/h3-10H,1-2H3,(H4,20,21,22,24);1H;2*1H2