N'-tert-butyl-N-(4-chloranylisoquinolin-1-yl)-3-oxidanylidene-butanimidamide

Systemtic Name: N'-tert-butyl-N-(4-chloranylisoquinolin-1-yl)-3-oxidanylidene-butanimidamide Openeye Name: N'-tert-butyl-N-(4-chloro-1-isoquinolyl)-3-oxo-butanamidine CAS Name: N'-tert-butyl-N-(4-chloro-1-isoquinolinyl)-3-oxobutanimidamide IUPAC Name: N'-tert-butyl-N-(4-chloroisoquinolin-1-yl)-3-oxobutanimidamide Traditional Name: N'-tert-butyl-N-(4-chloro-1-isoquinolyl)-3-keto-butyramidine Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=NC(C)(C)C)NC1=NC=C(C2=CC=CC=C21)Cl

Isomeric SMILES

CC(=O)CC(=NC(C)(C)C)NC1=NC=C(C2=CC=CC=C21)Cl

InChI

InChI=1S/C17H20ClN3O/c1-11(22)9-15(21-17(2,3)4)20-16-13-8-6-5-7-12(13)14(18)10-19-16/h5-8,10H,9H2,1-4H3,(H,19,20,21)