2-[2,6-bis(chloranyl)phenyl]-3-(4-methoxyphenyl)-5-naphthalen-2-yl-5-oxidanylidene-pentanenitrile

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]-3-(4-methoxyphenyl)-5-naphthalen-2-yl-5-oxidanylidene-pentanenitrile Openeye Name: 2-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-5-(2-naphthyl)-5-oxo-pentanenitrile CAS Name: 2-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-5-(2-naphthalenyl)-5-oxopentanenitrile IUPAC Name: 2-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-5-oxopentanenitrile Traditional Name: 2-(2,6-dichlorophenyl)-5-keto-3-(4-methoxyphenyl)-5-(2-naphthyl)valeronitrile Formula: C28H21Cl2NO2 MolecularWeight: 474.37784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC3=CC=CC=C3C=C2)C(C#N)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC3=CC=CC=C3C=C2)C(C#N)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C28H21Cl2NO2/c1-33-22-13-11-19(12-14-22)23(24(17-31)28-25(29)7-4-8-26(28)30)16-27(32)21-10-9-18-5-2-3-6-20(18)15-21/h2-15,23-24H,16H2,1H3