4-[[5-[2-[(3R,4S)-3-methyl-2-oxidanylidene-1-phenyl-piperidin-4-yl]ethyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[2-[(3R,4S)-3-methyl-2-oxidanylidene-1-phenyl-piperidin-4-yl]ethyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[2-[(3R,4S)-3-methyl-2-oxo-1-phenyl-4-piperidyl]ethyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[2-[(3R,4S)-3-methyl-2-oxo-1-phenyl-4-piperidinyl]ethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[2-[(3R,4S)-3-methyl-2-oxo-1-phenylpiperidin-4-yl]ethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[2-[(3R,4S)-2-keto-3-methyl-1-phenyl-4-piperidyl]ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN(C1=O)C2=CC=CC=C2)CCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H]1[C@H](CCN(C1=O)C2=CC=CC=C2)CCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O/c1-19-22(13-14-29(25(19)30)23-5-3-2-4-6-23)11-12-24-16-27-18-28(24)17-21-9-7-20(15-26)8-10-21/h2-10,16,18-19,22H,11-14,17H2,1H3/t19-,22+/m1/s1