1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(2-methylphenyl)pentane-2,4-dione hydrochloride

Systemtic Name: 1-(2-aminophenyl)-3-azanyl-3-(4-azanylbutyl)-5-(2-methylphenyl)pentane-2,4-dione hydrochloride Openeye Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(o-tolyl)pentane-2,4-dione hydrochloride CAS Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(2-methylphenyl)pentane-2,4-dione hydrochloride IUPAC Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(2-methylphenyl)pentane-2,4-dione hydrochloride Traditional Name: 3-amino-3-(4-aminobutyl)-1-(2-aminophenyl)-5-(o-tolyl)pentane-2,4-dione hydrochloride Formula: C22H30ClN3O2 MolecularWeight: 403.9455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)C(CCCCN)(C(=O)CC2=CC=CC=C2N)N.Cl

Isomeric SMILES

CC1=CC=CC=C1CC(=O)C(CCCCN)(C(=O)CC2=CC=CC=C2N)N.Cl

InChI

InChI=1S/C22H29N3O2.ClH/c1-16-8-2-3-9-17(16)14-20(26)22(25,12-6-7-13-23)21(27)15-18-10-4-5-11-19(18)24;/h2-5,8-11H,6-7,12-15,23-25H2,1H3;1H