5-bromanyl-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 5-bromanyl-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-benzyl-5-bromo-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-5-bromo-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-benzyl-5-bromoisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-benzyl-5-bromo-isoquinoline-1-carbonitrile Formula: C24H17BrN2O MolecularWeight: 429.30858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C3=C(C=CN2C(=O)C4=CC=CC=C4)C(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2(C3=C(C=CN2C(=O)C4=CC=CC=C4)C(=CC=C3)Br)C#N

InChI

InChI=1S/C24H17BrN2O/c25-22-13-7-12-21-20(22)14-15-27(23(28)19-10-5-2-6-11-19)24(21,17-26)16-18-8-3-1-4-9-18/h1-15H,16H2