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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H24N4O5/c1-14(2)10-11-21-20(28)22-17(25)13-29-19(27)16-8-9-18(26)24(23-16)12-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H2,21,22,25,28)