(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholinophenyl)acrylamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(=CC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C(=C/C3=CC4=C(C=C3)OCCO4)/C#N

InChI

InChI=1S/C22H21N3O4/c23-15-17(13-16-1-6-20-21(14-16)29-12-11-28-20)22(26)24-18-2-4-19(5-3-18)25-7-9-27-10-8-25/h1-6,13-14H,7-12H2,(H,24,26)/b17-13+