4-phenyl-N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]butanamide Openeye Name: 4-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]butanamide CAS Name: N-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]-4-phenylbutanamide IUPAC Name: 4-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]butanamide Traditional Name: 4-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]butyramide Formula: C27H27F3N4O2 MolecularWeight: 496.52409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)CCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C27H27F3N4O2/c28-27(29,30)23-11-5-4-10-22(23)26(36)34-17-15-33(16-18-34)24-14-13-21(19-31-24)32-25(35)12-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-11,13-14,19H,6,9,12,15-18H2,(H,32,35)