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

Systemtic Name: ethyl 3-cyano-5-methyl-4-[[1-(phenylcarbonyl)piperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-[(1-benzoyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 4-[(1-benzoyl-4-piperidinyl)amino]-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzoylpiperidin-4-yl)amino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-[(1-benzoyl-4-piperidyl)amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-3-32-24(31)20-15-29-22(16(20)2)21(18(13-25)14-26-29)27-19-9-11-28(12-10-19)23(30)17-7-5-4-6-8-17/h4-8,14-15,19,27H,3,9-12H2,1-2H3