4-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylic acid Formula: C27H24N6O4 MolecularWeight: 496.51726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C(=O)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)N3CCN(CC3)C(=O)O)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H24N6O4/c1-18-23(26(34)31-11-13-32(14-12-31)27(35)36)17-33-25(18)24(19(15-28)16-29-33)30-20-7-9-22(10-8-20)37-21-5-3-2-4-6-21/h2-10,16-17,30H,11-14H2,1H3,(H,35,36)