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

Systemtic Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-naphthalen-2-yloxy-3-oxidanylidene-butanenitrile Openeye Name: 2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(2-naphthyloxy)-3-oxo-butanenitrile CAS Name: 2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-4-(2-naphthalenyloxy)-3-oxobutanenitrile IUPAC Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-naphthalen-2-yloxy-3-oxobutanenitrile Traditional Name: 3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(2-naphthoxy)butyronitrile Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC4=CC=CC=C4C=C3)N2C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC4=CC=CC=C4C=C3)N2C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O3/c27-17-23(24(32)18-34-22-11-10-19-6-4-5-7-20(19)16-22)25-28-29-26(30-12-14-33-15-13-30)31(25)21-8-2-1-3-9-21/h1-11,16,28H,12-15,18H2