5-(2-ethoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 5-(2-ethoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-pentanenitrile Openeye Name: 5-(2-ethoxyphenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-oxo-pentanenitrile CAS Name: 5-(2-ethoxyphenyl)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-oxopentanenitrile IUPAC Name: 5-(2-ethoxyphenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxopentanenitrile Traditional Name: 3-keto-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-5-o-phenetyl-valeronitrile Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)C(C#N)C2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C25H27N5O3/c1-2-33-23-11-7-6-8-19(23)12-13-22(31)21(18-26)24-27-28-25(29-14-16-32-17-15-29)30(24)20-9-4-3-5-10-20/h3-11,21H,2,12-17H2,1H3