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

Systemtic Name: N'-(4-butoxy-3-methoxy-phenyl)carbonyl-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Openeye Name: N'-(4-butoxy-3-methoxy-benzoyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide CAS Name: N'-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide IUPAC Name: N'-(4-butoxy-3-methoxybenzoyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide Traditional Name: N'-(4-butoxy-3-methoxy-benzoyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbohydrazide Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C22H25ClN2O6/c1-3-4-8-29-17-7-6-14(12-18(17)28-2)21(26)24-25-22(27)15-11-16(23)20-19(13-15)30-9-5-10-31-20/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,24,26)(H,25,27)