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

Systemtic Name: 3-cyano-5-methyl-4-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-15-19(22(28)29)14-27-21(15)20(17(11-23)12-24-27)25-18-7-9-26(10-8-18)13-16-5-3-2-4-6-16/h2-6,12,14,18,25H,7-10,13H2,1H3,(H,28,29)