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

Systemtic Name: diethyl (E,4Z)-4-[azanyl-(4-phenylpiperazin-1-yl)methylidene]-2-cyano-pent-2-enedioate Openeye Name: diethyl (E,4Z)-4-[amino-(4-phenylpiperazin-1-yl)methylene]-2-cyano-pent-2-enedioate CAS Name: (E,4Z)-4-[amino-(4-phenyl-1-piperazinyl)methylidene]-2-cyano-2-pentenedioic acid diethyl ester IUPAC Name: diethyl (E,4Z)-4-[amino-(4-phenylpiperazin-1-yl)methylidene]-2-cyanopent-2-enedioate Traditional Name: (E,4Z)-4-[amino-(4-phenylpiperazino)methylene]-2-cyano-pent-2-enedioic acid diethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-3-28-20(26)16(15-22)14-18(21(27)29-4-2)19(23)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14H,3-4,10-13,23H2,1-2H3/b16-14+,19-18-