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

Systemtic Name: 4-bromanyl-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-benzyl-4-bromo-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-4-bromo-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-benzyl-4-bromoisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-benzyl-4-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=CC=CC=C3C(=CN2C(=O)C4=CC=CC=C4)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2(C3=CC=CC=C3C(=CN2C(=O)C4=CC=CC=C4)Br)C#N

InChI

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