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

Systemtic Name: ethyl 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-tert-butoxycarbonylpiperazin-1-yl)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O4/c1-6-29-19(27)16-13-26-17(14(16)2)18(15(11-22)12-23-26)24-7-9-25(10-8-24)20(28)30-21(3,4)5/h12-13H,6-10H2,1-5H3