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

Systemtic Name: 3-cyano-5-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-benzoylpiperazin-1-yl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-benzoylpiperazino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-14-17(21(28)29)13-26-18(14)19(16(11-22)12-23-26)24-7-9-25(10-8-24)20(27)15-5-3-2-4-6-15/h2-6,12-13H,7-10H2,1H3,(H,28,29)