N4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,4-dicarboxamide

Systemtic Name: N4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,4-dicarboxamide Openeye Name: N4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]terephthalamide CAS Name: N4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]benzene-1,4-dicarboxamide Traditional Name: N'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]terephthalamide Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4/c19-14-8-11(9-15-16(14)25-7-1-6-24-15)10-21-18(23)13-4-2-12(3-5-13)17(20)22/h2-5,8-9H,1,6-7,10H2,(H2,20,22)(H,21,23)