1-[(2,4-dimethylphenyl)methyl]-2-oxidanylidene-6-(4-piperidin-1-ylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxidanylidene-6-(4-piperidin-1-ylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(1-piperidyl)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(1-piperidinyl)phenyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-(4-piperidin-1-ylphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 1-(2,4-dimethylbenzyl)-2-keto-6-(4-piperidinophenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C27H26F3N3O MolecularWeight: 465.51005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC(=C(C2=O)C#N)C(F)(F)F)C3=CC=C(C=C3)N4CCCCC4)C

InChI

InChI=1S/C27H26F3N3O/c1-18-6-7-21(19(2)14-18)17-33-25(15-24(27(28,29)30)23(16-31)26(33)34)20-8-10-22(11-9-20)32-12-4-3-5-13-32/h6-11,14-15H,3-5,12-13,17H2,1-2H3