3-(2-chloranyl-4-methoxy-phenyl)-5-naphthalen-2-yl-5-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-5-naphthalen-2-yl-5-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-5-(2-naphthyl)-5-oxo-2-phenyl-pentanenitrile CAS Name: 3-(2-chloro-4-methoxyphenyl)-5-(2-naphthalenyl)-5-oxo-2-phenylpentanenitrile IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-5-naphthalen-2-yl-5-oxo-2-phenylpentanenitrile Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-5-keto-5-(2-naphthyl)-2-phenyl-valeronitrile Formula: C28H22ClNO2 MolecularWeight: 439.93278

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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=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClNO2/c1-32-23-13-14-24(27(29)16-23)25(26(18-30)20-8-3-2-4-9-20)17-28(31)22-12-11-19-7-5-6-10-21(19)15-22/h2-16,25-26H,17H2,1H3