4-chloranyl-5-[4-[2-oxidanyl-3,5-di(propan-2-yl)phenyl]carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[2-oxidanyl-3,5-di(propan-2-yl)phenyl]carbonylpiperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-hydroxy-3,5-diisopropyl-benzoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]-oxomethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[2-hydroxy-3,5-di(propan-2-yl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-hydroxy-3,5-diisopropyl-benzoyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C27H31ClN4O3 MolecularWeight: 495.01304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl)O)C(C)C

InChI

InChI=1S/C27H31ClN4O3/c1-17(2)19-14-21(18(3)4)25(33)22(15-19)26(34)31-12-10-30(11-13-31)23-16-29-32(27(35)24(23)28)20-8-6-5-7-9-20/h5-9,14-18,33H,10-13H2,1-4H3