4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one Openeye Name: 2-isobutyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(4-phenylphenyl)pyridazin-3-one CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)-3-pyridazinone IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)-6-(4-phenylphenyl)pyridazin-3-one Traditional Name: 2-isobutyl-4-[(4-methylpiperazino)methyl]-6-(4-phenylphenyl)pyridazin-3-one Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCN(CC4)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCN(CC4)C

InChI

InChI=1S/C26H32N4O/c1-20(2)18-30-26(31)24(19-29-15-13-28(3)14-16-29)17-25(27-30)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-12,17,20H,13-16,18-19H2,1-3H3