5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3-nitrophenyl)pentanenitrile

Systemtic Name: 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3-nitrophenyl)pentanenitrile Openeye Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-(3-nitrophenyl)pentanenitrile CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-(3-nitrophenyl)pentanenitrile IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(3-nitrophenyl)pentanenitrile Traditional Name: 5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-(3-nitrophenyl)valeronitrile Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O3/c23-20-8-6-19(7-9-20)22(27)10-13-25(14-11-22)12-2-4-18(16-24)17-3-1-5-21(15-17)26(28)29/h1,3,5-9,15,18,27H,2,4,10-14H2