3-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-(2,4-dimethylbenzoyl)-1-piperidyl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-(2,4-dimethylbenzoyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(2,4-dimethylbenzoyl)piperidino]methyl]-4-fluoro-benzonitrile Formula: C22H23FN2O MolecularWeight: 350.429223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC3=C(C=CC(=C3)C#N)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC3=C(C=CC(=C3)C#N)F)C

InChI

InChI=1S/C22H23FN2O/c1-15-3-5-20(16(2)11-15)22(26)18-7-9-25(10-8-18)14-19-12-17(13-24)4-6-21(19)23/h3-6,11-12,18H,7-10,14H2,1-2H3