[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-23(17-10-6-3-7-11-17)20(26)15-28-21(27)18-12-13-19(25)24(22-18)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14-15H2,1H3