2-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-5-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-5-oxidanylidene-pentanenitrile Openeye Name: 2-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-5-oxo-pentanenitrile CAS Name: 2-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanenitrile IUPAC Name: 2-(4-chlorophenyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanenitrile Traditional Name: 2-(4-chlorophenyl)-5-keto-3,5-bis(4-methoxyphenyl)valeronitrile Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)C(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClNO3/c1-29-21-11-5-17(6-12-21)23(24(16-27)18-3-9-20(26)10-4-18)15-25(28)19-7-13-22(30-2)14-8-19/h3-14,23-24H,15H2,1-2H3