ethyl 3-cyano-5-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-cyano-5-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-benzoylpiperazino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-3-31-23(30)19-15-28-20(16(19)2)21(18(13-24)14-25-28)26-9-11-27(12-10-26)22(29)17-7-5-4-6-8-17/h4-8,14-15H,3,9-12H2,1-2H3