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

Systemtic Name: ethyl 4-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN3C(=C2C)C(=C(C=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN3C(=C2C)C(=C(C=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N6O4/c1-3-38-29(37)34-15-13-33(14-16-34)28(36)25-19-35-27(20(25)2)26(21(17-30)18-31-35)32-22-9-11-24(12-10-22)39-23-7-5-4-6-8-23/h4-12,18-19,32H,3,13-16H2,1-2H3