N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluorophenyl)acetamide Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F)OC1

InChI

InChI=1S/C20H19FN2O3S/c21-15-3-5-16(6-4-15)23(10-1-9-22)20(24)14-27-17-7-8-18-19(13-17)26-12-2-11-25-18/h3-8,13H,1-2,10-12,14H2