1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-[3-(trifluoromethyl)phenyl]butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-[3-(trifluoromethyl)phenyl]butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-[3-(trifluoromethyl)phenyl]butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-[3-(trifluoromethyl)phenyl]-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-[3-(trifluoromethyl)phenyl]butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-[3-(trifluoromethyl)phenyl]butan-1-one Formula: C21H27F3N2O2 MolecularWeight: 396.44649

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC(=CC=C2)C(F)(F)F)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC(=CC=C2)C(F)(F)F)(CO)N

InChI

InChI=1S/C21H27F3N2O2/c1-20(25,14-27)12-11-17-9-10-18(26(17)2)19(28)8-4-6-15-5-3-7-16(13-15)21(22,23)24/h3,5,7,9-10,13,27H,4,6,8,11-12,14,25H2,1-2H3