3-[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-oxidanylidene-piperidin-1-yl]oxypropanenitrile

Systemtic Name: 3-[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-oxidanylidene-piperidin-1-yl]oxypropanenitrile Openeye Name: 3-[[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-oxo-1-piperidyl]oxy]propanenitrile CAS Name: 3-[[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-oxo-1-piperidinyl]oxy]propanenitrile IUPAC Name: 3-[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-oxopiperidin-1-yl]oxypropanenitrile Traditional Name: 3-[(2S,3R,6R)-2,6-bis(4-chlorophenyl)-4-keto-3-methyl-piperidino]oxypropionitrile Formula: C21H20Cl2N2O2 MolecularWeight: 403.3017

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(CC1=O)C2=CC=C(C=C2)Cl)OCCC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H]1[C@H](N([C@H](CC1=O)C2=CC=C(C=C2)Cl)OCCC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20Cl2N2O2/c1-14-20(26)13-19(15-3-7-17(22)8-4-15)25(27-12-2-11-24)21(14)16-5-9-18(23)10-6-16/h3-10,14,19,21H,2,12-13H2,1H3/t14-,19+,21-/m0/s1