4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzonitrile CAS Name: 4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)benzonitrile Traditional Name: 4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)benzonitrile Formula: C26H19BrN2O2 MolecularWeight: 471.34526

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H19BrN2O2/c1-2-23(30)25-24(18-6-4-3-5-7-18)22-14-21(27)13-12-20(22)16-29(25)26(31)19-10-8-17(15-28)9-11-19/h3-14H,2,16H2,1H3