5-[4-(3,4-dichlorophenyl)-2-dodecyl-5-(4-fluorophenyl)carbonyl-piperidin-1-yl]pentanenitrile

Systemtic Name: 5-[4-(3,4-dichlorophenyl)-2-dodecyl-5-(4-fluorophenyl)carbonyl-piperidin-1-yl]pentanenitrile Openeye Name: 5-[4-(3,4-dichlorophenyl)-2-dodecyl-5-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 5-[4-(3,4-dichlorophenyl)-2-dodecyl-5-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 5-[4-(3,4-dichlorophenyl)-2-dodecyl-5-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 5-[4-(3,4-dichlorophenyl)-5-(4-fluorobenzoyl)-2-lauryl-piperidino]valeronitrile Formula: C35H47Cl2FN2O MolecularWeight: 601.664883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CC(C(CN1CCCCC#N)C(=O)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCC1CC(C(CN1CCCCC#N)C(=O)C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C35H47Cl2FN2O/c1-2-3-4-5-6-7-8-9-10-12-15-30-25-31(28-18-21-33(36)34(37)24-28)32(26-40(30)23-14-11-13-22-39)35(41)27-16-19-29(38)20-17-27/h16-21,24,30-32H,2-15,23,25-26H2,1H3