3-(3-bromophenyl)-2-naphthalen-1-yl-5-naphthalen-2-yl-5-oxidanylidene-pentanenitrile

Systemtic Name: 3-(3-bromophenyl)-2-naphthalen-1-yl-5-naphthalen-2-yl-5-oxidanylidene-pentanenitrile Openeye Name: 3-(3-bromophenyl)-2-(1-naphthyl)-5-(2-naphthyl)-5-oxo-pentanenitrile CAS Name: 3-(3-bromophenyl)-2-(1-naphthalenyl)-5-(2-naphthalenyl)-5-oxopentanenitrile IUPAC Name: 3-(3-bromophenyl)-2-naphthalen-1-yl-5-naphthalen-2-yl-5-oxopentanenitrile Traditional Name: 3-(3-bromophenyl)-5-keto-2-(1-naphthyl)-5-(2-naphthyl)valeronitrile Formula: C31H22BrNO MolecularWeight: 504.41648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CC(C3=CC(=CC=C3)Br)C(C#N)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CC(C3=CC(=CC=C3)Br)C(C#N)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H22BrNO/c32-26-12-5-11-24(18-26)29(19-31(34)25-16-15-21-7-1-2-9-23(21)17-25)30(20-33)28-14-6-10-22-8-3-4-13-27(22)28/h1-18,29-30H,19H2