5-[2,6-bis(chloranyl)phenyl]-3-(3,4-dimethoxyphenyl)-5-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]-3-(3,4-dimethoxyphenyl)-5-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile Openeye Name: 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5-oxo-2-(piperidine-1-carbonyl)pentanenitrile CAS Name: 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5-oxo-2-[oxo(1-piperidinyl)methyl]pentanenitrile IUPAC Name: 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5-oxo-2-(piperidine-1-carbonyl)pentanenitrile Traditional Name: 5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-5-keto-2-(piperidine-1-carbonyl)valeronitrile Formula: C25H26Cl2N2O4 MolecularWeight: 489.39094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=C(C=CC=C2Cl)Cl)C(C#N)C(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)C2=C(C=CC=C2Cl)Cl)C(C#N)C(=O)N3CCCCC3)OC

InChI

InChI=1S/C25H26Cl2N2O4/c1-32-22-10-9-16(13-23(22)33-2)17(14-21(30)24-19(26)7-6-8-20(24)27)18(15-28)25(31)29-11-4-3-5-12-29/h6-10,13,17-18H,3-5,11-12,14H2,1-2H3