ethyl 3-cyano-4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-cyano-4-[[5-(methoxycarbamoyl)-2-methyl-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-cyano-4-[5-(methoxycarbamoyl)-2-methyl-anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-4-[5-[(methoxyamino)-oxomethyl]-2-methylanilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-cyano-4-[5-(methoxycarbamoyl)-2-methyl-anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=C(C=CC(=C3)C(=O)NOC)C

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=C(C=CC(=C3)C(=O)NOC)C

InChI

InChI=1S/C21H21N5O4/c1-5-30-21(28)16-11-26-19(13(16)3)18(15(9-22)10-23-26)24-17-8-14(7-6-12(17)2)20(27)25-29-4/h6-8,10-11,24H,5H2,1-4H3,(H,25,27)