6-chloranyl-N'-(3-methoxy-4-propoxy-phenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide

Systemtic Name: 6-chloranyl-N'-(3-methoxy-4-propoxy-phenyl)carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Openeye Name: 6-chloro-N'-(3-methoxy-4-propoxy-benzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide CAS Name: 6-chloro-N'-[(3-methoxy-4-propoxyphenyl)-oxomethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide IUPAC Name: 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Traditional Name: 6-chloro-N'-(3-methoxy-4-propoxy-benzoyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C21H23ClN2O6/c1-3-7-28-16-6-5-13(11-17(16)27-2)20(25)23-24-21(26)14-10-15(22)19-18(12-14)29-8-4-9-30-19/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,23,25)(H,24,26)