N3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,3-dicarboxamide

Systemtic Name: N3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,3-dicarboxamide Openeye Name: N3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,3-dicarboxamide CAS Name: N3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 3-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,3-dicarboxamide Traditional Name: N'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]isophthalamide Formula: C18H17ClN2O4 MolecularWeight: 360.79158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4/c19-14-7-11(8-15-16(14)25-6-2-5-24-15)10-21-18(23)13-4-1-3-12(9-13)17(20)22/h1,3-4,7-9H,2,5-6,10H2,(H2,20,22)(H,21,23)