2-(2-methylpropyl)-6-(4-phenylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride

Systemtic Name: 2-(2-methylpropyl)-6-(4-phenylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Openeye Name: 2-isobutyl-6-(4-phenylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride CAS Name: 2-(2-methylpropyl)-6-(4-phenylphenyl)-4-(1-piperazinylmethyl)-3-pyridazinone dihydrochloride IUPAC Name: 2-(2-methylpropyl)-6-(4-phenylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Traditional Name: 2-isobutyl-6-(4-phenylphenyl)-4-(piperazinomethyl)pyridazin-3-one dihydrochloride Formula: C25H32Cl2N4O MolecularWeight: 475.45378

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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)CN4CCNCC4.Cl.Cl

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCNCC4.Cl.Cl

InChI

InChI=1S/C25H30N4O.2ClH/c1-19(2)17-29-25(30)23(18-28-14-12-26-13-15-28)16-24(27-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20;;/h3-11,16,19,26H,12-15,17-18H2,1-2H3;2*1H