3-cyano-4-(4-ethanoylpiperazin-1-yl)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-4-(4-ethanoylpiperazin-1-yl)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-acetylpiperazino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C16H17N5O3/c1-10-13(16(23)24)9-21-14(10)15(12(7-17)8-18-21)20-5-3-19(4-6-20)11(2)22/h8-9H,3-6H2,1-2H3,(H,23,24)