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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-5-[3-(trifluoromethyl)phenyl]pentan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-[3-(trifluoromethyl)phenyl]pentan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-5-[3-(trifluoromethyl)phenyl]-1-pentanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-5-[3-(trifluoromethyl)phenyl]pentan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-[3-(trifluoromethyl)phenyl]pentan-1-one Formula: C22H29F3N2O2 MolecularWeight: 410.47307

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCCC2=CC(=CC=C2)C(F)(F)F)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCCC2=CC(=CC=C2)C(F)(F)F)(CO)N

InChI

InChI=1S/C22H29F3N2O2/c1-21(26,15-28)13-12-18-10-11-19(27(18)2)20(29)9-4-3-6-16-7-5-8-17(14-16)22(23,24)25/h5,7-8,10-11,14,28H,3-4,6,9,12-13,15,26H2,1-2H3