4-[[5-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[5-[(6-bromanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[5-[(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[5-[(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-1-imidazolyl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[5-[(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[5-[(6-bromo-1-keto-3,4-dihydroisoquinolin-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride Formula: C21H18BrClN4O MolecularWeight: 457.75082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)Br)CC3=CN=CN3CC4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)Br)CC3=CN=CN3CC4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C21H17BrN4O.ClH/c22-18-5-6-20-17(9-18)7-8-25(21(20)27)13-19-11-24-14-26(19)12-16-3-1-15(10-23)2-4-16;/h1-6,9,11,14H,7-8,12-13H2;1H