potassium 6-bromanyl-4-phenyl-3-propanoyl-2-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]isoquinolin-1-one

Systemtic Name: potassium 6-bromanyl-4-phenyl-3-propanoyl-2-[[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]isoquinolin-1-one Openeye Name: potassium 6-bromo-4-phenyl-3-propanoyl-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]isoquinolin-1-one CAS Name: potassium 6-bromo-3-(1-oxopropyl)-4-phenyl-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1-isoquinolinone IUPAC Name: potassium 6-bromo-4-phenyl-3-propanoyl-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]isoquinolin-1-one Traditional Name: potassium 6-bromo-4-phenyl-3-propionyl-2-[4-(2H-tetrazol-5-yl)benzyl]isocarbostyril Formula: C26H20BrKN5O2+ MolecularWeight: 553.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C4=NNN=N4)C5=CC=CC=C5.[K+]

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C4=NNN=N4)C5=CC=CC=C5.[K+]

InChI

InChI=1S/C26H20BrN5O2.K/c1-2-22(33)24-23(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)26(34)32(24)15-16-8-10-18(11-9-16)25-28-30-31-29-25;/h3-14H,2,15H2,1H3,(H,28,29,30,31);/q;+1