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

Systemtic Name: 3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)propanenitrile Openeye Name: 3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propanenitrile CAS Name: 3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]propanenitrile IUPAC Name: 3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)propanenitrile Traditional Name: 3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)propionitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N)C=CC1=O

Isomeric SMILES

COC1=CC(=CC(=C2NN=C(N2C3=CC=CC=C3)N4CCOCC4)C#N)C=CC1=O

InChI

InChI=1S/C22H21N5O3/c1-29-20-14-16(7-8-19(20)28)13-17(15-23)21-24-25-22(26-9-11-30-12-10-26)27(21)18-5-3-2-4-6-18/h2-8,13-14,24H,9-12H2,1H3