1-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propan-1-one Openeye Name: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one CAS Name: 1-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanone IUPAC Name: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one Traditional Name: 1-[4-(6-chloropyridazin-3-yl)piperazino]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one Formula: C25H35ClN4O2 MolecularWeight: 459.024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C25H35ClN4O2/c1-24(2,3)18-15-17(16-19(23(18)32)25(4,5)6)7-10-22(31)30-13-11-29(12-14-30)21-9-8-20(26)27-28-21/h8-9,15-16,32H,7,10-14H2,1-6H3