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

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-2-24(18-11-7-4-8-12-18)21(27)16-29-22(28)19-13-14-20(26)25(23-19)15-17-9-5-3-6-10-17/h3,5-6,9-10,13-14,18H,2,4,7-8,11-12,15-16H2,1H3