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

Systemtic Name: 3-cyano-5-methyl-4-[(4-pyridin-3-yloxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-[4-(3-pyridyloxy)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-[4-(3-pyridinyloxy)anilino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-pyridin-3-yloxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-[4-(3-pyridyloxy)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C21H15N5O3/c1-13-18(21(27)28)12-26-20(13)19(14(9-22)10-24-26)25-15-4-6-16(7-5-15)29-17-3-2-8-23-11-17/h2-8,10-12,25H,1H3,(H,27,28)