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

Systemtic Name: 3-cyano-5-methyl-4-[[1-(phenylcarbonyl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-[(1-benzoyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-[(1-benzoyl-4-piperidinyl)amino]-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-[(1-benzoylpiperidin-4-yl)amino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-[(1-benzoyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-14-18(22(29)30)13-27-20(14)19(16(11-23)12-24-27)25-17-7-9-26(10-8-17)21(28)15-5-3-2-4-6-15/h2-6,12-13,17,25H,7-10H2,1H3,(H,29,30)