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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CCC(C)(CO)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CCC(C)(CO)N)C

InChI

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