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

Systemtic Name: ethyl 5-[3-azanyl-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: 5-[3-amino-2-cyano-3-[4-(2-hydroxyethyl)-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-(2-hydroxyethyl)piperazin-1-yl]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazino]prop-2-enylidene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC(=C(N)N2CCN(CC2)CCO)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=CC(=C(N)N2CCN(CC2)CCO)C#N)C1=O)C

InChI

InChI=1S/C18H25N5O4/c1-3-27-18(26)15-12(2)21-14(16(15)25)10-13(11-19)17(20)23-6-4-22(5-7-23)8-9-24/h10,21,24H,3-9,20H2,1-2H3