5-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(5-tert-butyl-2,3-dihydroxy-phenyl)methyl]piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(5-tert-butyl-2,3-dihydroxy-benzyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H29ClN4O3/c1-25(2,3)18-13-17(23(32)21(31)14-18)16-28-9-11-29(12-10-28)20-15-27-30(24(33)22(20)26)19-7-5-4-6-8-19/h4-8,13-15,31-32H,9-12,16H2,1-3H3