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

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(3-methylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(m-tolyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-2-pyrrolyl]-4-(3-methylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methylpyrrol-2-yl]-4-(3-methylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-1-methyl-pyrrol-2-yl]-4-(m-tolyl)butan-1-one Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC(=C2)C)(CO)N

Isomeric SMILES

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC(=C2)C)(CO)N

InChI

InChI=1S/C22H32N2O2/c1-4-22(23,16-25)14-13-19-11-12-20(24(19)3)21(26)10-6-9-18-8-5-7-17(2)15-18/h5,7-8,11-12,15,25H,4,6,9-10,13-14,16,23H2,1-3H3