4-(4-methylphenoxy)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-methylphenoxy)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-methylphenoxy)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-butanenitrile CAS Name: 4-(4-methylphenoxy)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxobutanenitrile IUPAC Name: 4-(4-methylphenoxy)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxobutanenitrile Traditional Name: 3-keto-4-(4-methylphenoxy)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)butyronitrile Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N

InChI

InChI=1S/C23H23N5O3/c1-17-7-9-19(10-8-17)31-16-21(29)20(15-24)22-25-26-23(27-11-13-30-14-12-27)28(22)18-5-3-2-4-6-18/h2-10,25H,11-14,16H2,1H3