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

Systemtic Name: 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-tert-butoxycarbonylpiperazin-1-yl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-12-14(17(25)26)11-24-15(12)16(13(9-20)10-21-24)22-5-7-23(8-6-22)18(27)28-19(2,3)4/h10-11H,5-8H2,1-4H3,(H,25,26)