[4-(5-pent-1-ynylpyridin-2-yl)-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-(5-pent-1-ynylpyridin-2-yl)-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone Openeye Name: [4-(5-pent-1-ynyl-2-pyridyl)-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone CAS Name: [4-(5-pent-1-ynyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-(5-pent-1-ynylpyridin-2-yl)-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone Traditional Name: [4-(5-pent-1-ynyl-2-pyridyl)-2-(trifluoromethyl)phenyl]-piperazino-methanone Formula: C22H22F3N3O MolecularWeight: 401.42479

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)N3CCNCC3)C(F)(F)F

Isomeric SMILES

CCCC#CC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)N3CCNCC3)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O/c1-2-3-4-5-16-6-9-20(27-15-16)17-7-8-18(19(14-17)22(23,24)25)21(29)28-12-10-26-11-13-28/h6-9,14-15,26H,2-3,10-13H2,1H3