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

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-16(2)8-7-9-17(3)23-20(26)15-29-22(28)19-12-13-21(27)25(24-19)14-18-10-5-4-6-11-18/h4-6,10-13,16-17H,7-9,14-15H2,1-3H3,(H,23,26)