ethyl 5-[3-azanyl-2-cyano-3-[4-(diethylcarbamoyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-azanyl-2-cyano-3-[4-(diethylcarbamoyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-amino-2-cyano-3-[4-(diethylcarbamoyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: 5-[3-amino-2-cyano-3-[4-[diethylamino(oxo)methyl]-1-piperazinyl]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-amino-2-cyano-3-[4-(diethylcarbamoyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-amino-2-cyano-3-[4-(diethylcarbamoyl)piperazino]prop-2-enylidene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=C(C=C2C(=O)C(=C(N2)C)C(=O)OCC)C#N)N

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=C(C=C2C(=O)C(=C(N2)C)C(=O)OCC)C#N)N

InChI

InChI=1S/C21H30N6O4/c1-5-25(6-2)21(30)27-10-8-26(9-11-27)19(23)15(13-22)12-16-18(28)17(14(4)24-16)20(29)31-7-3/h12,24H,5-11,23H2,1-4H3