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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-ethyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-ethyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-ethyl-2-pyrrolyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-ethylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-ethyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C(=O)CCCC2=CC=C(C=C2)C)CCC(C)(CO)N

Isomeric SMILES

CCN1C(=CC=C1C(=O)CCCC2=CC=C(C=C2)C)CCC(C)(CO)N

InChI

InChI=1S/C22H32N2O2/c1-4-24-19(14-15-22(3,23)16-25)12-13-20(24)21(26)7-5-6-18-10-8-17(2)9-11-18/h8-13,25H,4-7,14-16,23H2,1-3H3