3-methoxy-4-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-[3-(trifluoromethyl)phenyl]piperazino]butoxy]-3-methoxy-benzonitrile Formula: C23H24F3N3O3 MolecularWeight: 447.45017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H24F3N3O3/c1-31-21-14-17(16-27)7-8-20(21)32-13-3-6-22(30)29-11-9-28(10-12-29)19-5-2-4-18(15-19)23(24,25)26/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3