N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-keto-1H-quinoline-4-carboxamide Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C20H17ClN2O4/c21-15-8-12(9-17-19(15)27-7-3-6-26-17)11-22-20(25)14-10-18(24)23-16-5-2-1-4-13(14)16/h1-2,4-5,8-10H,3,6-7,11H2,(H,22,25)(H,23,24)