4-[(E)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]benzoate Openeye Name: 4-[(E)-2-cyano-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)vinyl]benzoate CAS Name: 4-[(E)-2-cyano-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]ethenyl]benzoate IUPAC Name: 4-[(E)-2-cyano-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-cyano-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)vinyl]benzoate Formula: C22H18N5O3- MolecularWeight: 400.41002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(=CC4=CC=C(C=C4)C(=O)[O-])C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)/C(=C/C4=CC=C(C=C4)C(=O)[O-])/C#N

InChI

InChI=1S/C22H19N5O3/c23-15-18(14-16-6-8-17(9-7-16)21(28)29)20-24-25-22(26-10-12-30-13-11-26)27(20)19-4-2-1-3-5-19/h1-9,14H,10-13H2,(H,28,29)/p-1/b18-14+