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

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-oxo-4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]butoxy]benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-keto-4-[4-[4-(trifluoromethyl)benzoyl]piperazino]butoxy]-3-methoxy-benzonitrile Formula: C24H24F3N3O4 MolecularWeight: 475.46027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3N3O4/c1-33-21-15-17(16-28)4-9-20(21)34-14-2-3-22(31)29-10-12-30(13-11-29)23(32)18-5-7-19(8-6-18)24(25,26)27/h4-9,15H,2-3,10-14H2,1H3