4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]-N-(2-cyanoethyl)benzamide

Systemtic Name: 4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]-N-(2-cyanoethyl)benzamide Openeye Name: 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)-N-(2-cyanoethyl)benzamide CAS Name: 4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]-N-(2-cyanoethyl)benzamide IUPAC Name: 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)-N-(2-cyanoethyl)benzamide Traditional Name: 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)-N-(2-cyanoethyl)benzamide Formula: C28H22BrN3O3 MolecularWeight: 528.39658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)NCCC#N)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)NCCC#N)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H22BrN3O3/c1-18(33)26-25(19-6-3-2-4-7-19)24-16-23(29)13-12-22(24)17-32(26)28(35)21-10-8-20(9-11-21)27(34)31-15-5-14-30/h2-4,6-13,16H,5,15,17H2,1H3,(H,31,34)