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

Systemtic Name: 2-[(6-chloranyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 2-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N'-hydroxy-benzamidine CAS Name: 2-[[6-chloro-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 2-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)-N'-hydroxybenzenecarboximidamide Traditional Name: 2-(6-chloro-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)-N'-hydroxy-benzamidine Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=CC=C3C(=NO)N)C=CC(=C2)Cl)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O3/c1-2-22(31)24-23(16-8-4-3-5-9-16)21-14-18(27)13-12-17(21)15-30(24)26(32)20-11-7-6-10-19(20)25(28)29-33/h3-14,33H,2,15H2,1H3,(H2,28,29)