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

Systemtic Name: ethyl (5E)-5-[(E)-3-azanyl-2-cyano-3-piperidin-1-yl-prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(E)-3-amino-2-cyano-3-(1-piperidyl)prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(E)-3-amino-2-cyano-3-(1-piperidinyl)prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(E)-3-amino-2-cyano-3-piperidin-1-ylprop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-[(E)-3-amino-2-cyano-3-piperidino-prop-2-enylidene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC(=C(N)N2CCCCC2)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/C(=C(/N)\N2CCCCC2)/C#N)/C1=O)C

InChI

InChI=1S/C17H22N4O3/c1-3-24-17(23)14-11(2)20-13(15(14)22)9-12(10-18)16(19)21-7-5-4-6-8-21/h9,20H,3-8,19H2,1-2H3/b13-9+,16-12+