4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N'-hydroxy-benzamidine CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N'-hydroxybenzenecarboximidamide Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N'-hydroxy-benzamidine Formula: C26H22BrN3O3 MolecularWeight: 504.37518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=NO)N)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)/C(=N\O)/N)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrN3O3/c1-2-22(31)24-23(16-6-4-3-5-7-16)21-14-20(27)13-12-19(21)15-30(24)26(32)18-10-8-17(9-11-18)25(28)29-33/h3-14,33H,2,15H2,1H3,(H2,28,29)