4-chloranyl-5-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-(2-cyclohexylethanoyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-(2-cyclohexylacetyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H27ClN4O2/c23-21-19(16-24-27(22(21)29)18-9-5-2-6-10-18)25-11-13-26(14-12-25)20(28)15-17-7-3-1-4-8-17/h2,5-6,9-10,16-17H,1,3-4,7-8,11-15H2