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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-5-(2-methylphenyl)pentan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-(o-tolyl)pentan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-5-(2-methylphenyl)-1-pentanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-5-(2-methylphenyl)pentan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-5-(o-tolyl)pentan-1-one Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

Isomeric SMILES

CC1=CC=CC=C1CCCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

InChI

InChI=1S/C22H32N2O2/c1-17-8-4-5-9-18(17)10-6-7-11-21(26)20-13-12-19(24(20)3)14-15-22(2,23)16-25/h4-5,8-9,12-13,25H,6-7,10-11,14-16,23H2,1-3H3