2-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propyl]-2-phenyl-butanedinitrile

Systemtic Name: 2-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propyl]-2-phenyl-butanedinitrile Openeye Name: 2-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propyl]-2-phenyl-butanedinitrile CAS Name: 2-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propyl]-2-phenylbutanedinitrile IUPAC Name: 2-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-phenylbutanedinitrile Traditional Name: 2-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propyl]-2-phenyl-succinonitrile Formula: C24H26ClN3O MolecularWeight: 407.93574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(CC#N)(C#N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(CC#N)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O/c25-22-9-7-21(8-10-22)24(29)13-17-28(18-14-24)16-4-11-23(19-27,12-15-26)20-5-2-1-3-6-20/h1-3,5-10,29H,4,11-14,16-18H2