2-(4-bromophenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-bromophenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 1-benzyl-2-(4-bromobenzoyl)isoquinoline-1-carbonitrile CAS Name: 2-[(4-bromophenyl)-oxomethyl]-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-benzyl-2-(4-bromobenzoyl)isoquinoline-1-carbonitrile Traditional Name: 1-benzyl-2-(4-bromobenzoyl)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=C(C=C4)Br)C#N

Isomeric SMILES

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

InChI

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