methyl 2-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[6-(cyclohexoxy)pyridazin-3-yl]piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(6-cyclohexyloxy-3-pyridazinyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(6-cyclohexyloxypyridazin-3-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[6-(cyclohexoxy)pyridazin-3-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(C=C3)OC4CCCCC4

InChI

InChI=1S/C23H28N4O4/c1-30-23(29)19-10-6-5-9-18(19)22(28)27-15-13-26(14-16-27)20-11-12-21(25-24-20)31-17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3