3,5-bis(4-methylphenyl)-5-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 3,5-bis(4-methylphenyl)-5-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-oxo-2-phenyl-3,5-bis(p-tolyl)pentanenitrile CAS Name: 3,5-bis(4-methylphenyl)-5-oxo-2-phenylpentanenitrile IUPAC Name: 3,5-bis(4-methylphenyl)-5-oxo-2-phenylpentanenitrile Traditional Name: 5-keto-2-phenyl-3,5-bis(p-tolyl)valeronitrile Formula: C25H23NO MolecularWeight: 353.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H23NO/c1-18-8-12-21(13-9-18)23(24(17-26)20-6-4-3-5-7-20)16-25(27)22-14-10-19(2)11-15-22/h3-15,23-24H,16H2,1-2H3