3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-oxidanylidene-4-phenyl-piperidin-4-yl]-2,2-dimethyl-propanenitrile

Systemtic Name: 3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-oxidanylidene-4-phenyl-piperidin-4-yl]-2,2-dimethyl-propanenitrile Openeye Name: 3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-4-phenyl-4-piperidyl]-2,2-dimethyl-propanenitrile CAS Name: 3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-4-phenyl-4-piperidinyl]-2,2-dimethylpropanenitrile IUPAC Name: 3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-4-phenylpiperidin-4-yl]-2,2-dimethylpropanenitrile Traditional Name: 3-[(4S)-1-[(1S)-1-(4-bromophenyl)ethyl]-2-keto-4-phenyl-4-piperidyl]-2,2-dimethyl-propionitrile Formula: C24H27BrN2O MolecularWeight: 439.38798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)N2CCC(CC2=O)(CC(C)(C)C#N)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)N2CC[C@](CC2=O)(CC(C)(C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H27BrN2O/c1-18(19-9-11-21(25)12-10-19)27-14-13-24(15-22(27)28,16-23(2,3)17-26)20-7-5-4-6-8-20/h4-12,18H,13-16H2,1-3H3/t18-,24-/m0/s1