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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-[4-(trifluoromethyl)phenyl]butan-1-one hydrochloride Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-[4-(trifluoromethyl)phenyl]butan-1-one hydrochloride CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-[4-(trifluoromethyl)phenyl]-1-butanone hydrochloride IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-[4-(trifluoromethyl)phenyl]butan-1-one hydrochloride Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-[4-(trifluoromethyl)phenyl]butan-1-one hydrochloride Formula: C21H28ClF3N2O2 MolecularWeight: 432.90743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27F3N2O2.ClH/c1-20(25,14-27)13-12-17-10-11-18(26(17)2)19(28)5-3-4-15-6-8-16(9-7-15)21(22,23)24;/h6-11,27H,3-5,12-14,25H2,1-2H3;1H