2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=C(C=C3)CC#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC=C(C=C3)CC#N)Cl)OC1

InChI

InChI=1S/C19H17ClN2O3/c20-16-10-14(11-17-19(16)25-9-1-8-24-17)12-18(23)22-15-4-2-13(3-5-15)6-7-21/h2-5,10-11H,1,6,8-9,12H2,(H,22,23)