5-(aminomethyl)-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 5-(aminomethyl)-3-cyano-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 5-(aminomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 5-(aminomethyl)-3-cyano-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 5-(aminomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 5-(aminomethyl)-3-cyano-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=C(C(=C4)C(=O)O)CN)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=NN4C3=C(C(=C4)C(=O)O)CN)C#N

InChI

InChI=1S/C22H17N5O3/c23-10-14-12-25-27-13-19(22(28)29)18(11-24)21(27)20(14)26-15-6-8-17(9-7-15)30-16-4-2-1-3-5-16/h1-9,12-13,26H,11,24H2,(H,28,29)