4-morpholin-4-yl-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile

Systemtic Name: 4-morpholin-4-yl-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-morpholino-5-(4-propanoylphenoxy)phthalonitrile CAS Name: 4-(4-morpholinyl)-5-[4-(1-oxopropyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-morpholin-4-yl-5-(4-propanoylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-morpholino-5-(4-propionylphenoxy)phthalonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCOCC3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCOCC3

InChI

InChI=1S/C21H19N3O3/c1-2-20(25)15-3-5-18(6-4-15)27-21-12-17(14-23)16(13-22)11-19(21)24-7-9-26-10-8-24/h3-6,11-12H,2,7-10H2,1H3