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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(2-methylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(o-tolyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(2-methylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(2-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(o-tolyl)butan-1-one Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

Isomeric SMILES

CC1=CC=CC=C1CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

InChI

InChI=1S/C21H30N2O2/c1-16-7-4-5-8-17(16)9-6-10-20(25)19-12-11-18(23(19)3)13-14-21(2,22)15-24/h4-5,7-8,11-12,24H,6,9-10,13-15,22H2,1-3H3