2-[4-[2-(4-butoxyphenyl)ethanoyl]piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-(4-butoxyphenyl)ethanoyl]piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butoxyphenyl)acetyl]piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butoxyphenyl)-1-oxoethyl]-1-piperazinyl]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butoxyphenyl)acetyl]piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butoxyphenyl)acetyl]piperazino]-6-(trifluoromethyl)nicotinonitrile Formula: C23H25F3N4O2 MolecularWeight: 446.46541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=CC(=N3)C(F)(F)F)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=CC(=N3)C(F)(F)F)C#N

InChI

InChI=1S/C23H25F3N4O2/c1-2-3-14-32-19-7-4-17(5-8-19)15-21(31)29-10-12-30(13-11-29)22-18(16-27)6-9-20(28-22)23(24,25)26/h4-9H,2-3,10-15H2,1H3