4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one

Systemtic Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one Openeye Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-isobutyl-6-(4-phenylphenyl)pyridazin-3-one CAS Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)-3-pyridazinone IUPAC Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one Traditional Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-2-isobutyl-6-(4-phenylphenyl)pyridazin-3-one Formula: C25H31N3O3 MolecularWeight: 421.53194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN(CCO)CCO

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN(CCO)CCO

InChI

InChI=1S/C25H31N3O3/c1-19(2)17-28-25(31)23(18-27(12-14-29)13-15-30)16-24(26-28)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,16,19,29-30H,12-15,17-18H2,1-2H3