2-[4-(3-fluoranyl-2,2-dimethyl-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile

Systemtic Name: 2-[4-(3-fluoranyl-2,2-dimethyl-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)ethanenitrile Openeye Name: 2-[4-(3-fluoro-2,2-dimethyl-3,3-diphenyl-propanoyl)piperazin-1-yl]-2-(2-methyl-3-pyridyl)acetonitrile CAS Name: 2-[4-(3-fluoro-2,2-dimethyl-1-oxo-3,3-diphenylpropyl)-1-piperazinyl]-2-(2-methyl-3-pyridinyl)acetonitrile IUPAC Name: 2-[4-(3-fluoro-2,2-dimethyl-3,3-diphenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile Traditional Name: 2-[4-(3-fluoro-2,2-dimethyl-3,3-diphenyl-propanoyl)piperazino]-2-(2-methyl-3-pyridyl)acetonitrile Formula: C29H31FN4O MolecularWeight: 470.581043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)C(C)(C)C(C3=CC=CC=C3)(C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)C(C)(C)C(C3=CC=CC=C3)(C4=CC=CC=C4)F

InChI

InChI=1S/C29H31FN4O/c1-22-25(15-10-16-32-22)26(21-31)33-17-19-34(20-18-33)27(35)28(2,3)29(30,23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16,26H,17-20H2,1-3H3