N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-3,5-bis(trifluoromethyl)benzamide Formula: C20H17F6N3O2 MolecularWeight: 445.358299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H17F6N3O2/c21-19(22,23)14-7-13(8-15(9-14)20(24,25)26)18(31)28-10-12-1-3-16(4-2-12)29-6-5-27-17(30)11-29/h1-4,7-9H,5-6,10-11H2,(H,27,30)(H,28,31)