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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxo-propanenitrile CAS Name: 3-(3,4-dimethoxyphenyl)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-oxopropanenitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-oxopropanenitrile Traditional Name: 3-(3,4-dimethoxyphenyl)-3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N)OC

InChI

InChI=1S/C23H23N5O4/c1-30-19-9-8-16(14-20(19)31-2)21(29)18(15-24)22-25-26-23(27-10-12-32-13-11-27)28(22)17-6-4-3-5-7-17/h3-9,14,25H,10-13H2,1-2H3