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

Systemtic Name: N-[bis(azanyl)methylidene]-1-oxidanylidene-2-propan-2-yl-isoquinoline-4-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-2-isopropyl-1-oxo-isoquinoline-4-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-1-oxo-2-propan-2-yl-4-isoquinolinecarboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-1-oxo-2-propan-2-ylisoquinoline-4-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-2-isopropyl-1-keto-isoquinoline-4-carboxamide hydrochloride Formula: C14H17ClN4O2 MolecularWeight: 308.76338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)N=C(N)N.Cl

Isomeric SMILES

CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)N=C(N)N.Cl

InChI

InChI=1S/C14H16N4O2.ClH/c1-8(2)18-7-11(12(19)17-14(15)16)9-5-3-4-6-10(9)13(18)20;/h3-8H,1-2H3,(H4,15,16,17,19);1H