N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-2-[3-(trifluoromethyl)phenyl]acetamide CAS Name: N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]-2-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H21F4N3O MolecularWeight: 407.404553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)CC2=CC(=CC=C2)C(F)(F)F)F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)CC2=CC(=CC=C2)C(F)(F)F)F)N3CCCC3

InChI

InChI=1S/C21H21F4N3O/c1-14-9-19(28-7-2-3-8-28)18(22)12-16(14)13-26-27-20(29)11-15-5-4-6-17(10-15)21(23,24)25/h4-6,9-10,12-13H,2-3,7-8,11H2,1H3,(H,27,29)