diethyl (E,4Z)-4-[azanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-cyano-pent-2-enedioate

Systemtic Name: diethyl (E,4Z)-4-[azanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-cyano-pent-2-enedioate Openeye Name: diethyl (E,4Z)-4-[amino-[4-(4-methoxyphenyl)piperazin-1-yl]methylene]-2-cyano-pent-2-enedioate CAS Name: (E,4Z)-4-[amino-[4-(4-methoxyphenyl)-1-piperazinyl]methylidene]-2-cyano-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (E,4Z)-4-[amino-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate Traditional Name: (E,4Z)-4-[amino-[4-(4-methoxyphenyl)piperazino]methylene]-2-cyano-pent-2-enedioic acid diethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=C(N)N1CCN(CC1)C2=CC=C(C=C2)OC)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C(=C(\N)/N1CCN(CC1)C2=CC=C(C=C2)OC)/C(=O)OCC)/C#N

InChI

InChI=1S/C22H28N4O5/c1-4-30-21(27)16(15-23)14-19(22(28)31-5-2)20(24)26-12-10-25(11-13-26)17-6-8-18(29-3)9-7-17/h6-9,14H,4-5,10-13,24H2,1-3H3/b16-14+,20-19-