N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-piperonyl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl)OC1

InChI

InChI=1S/C18H16ClNO5/c19-13-7-12(8-16-17(13)23-5-1-4-22-16)18(21)20-9-11-2-3-14-15(6-11)25-10-24-14/h2-3,6-8H,1,4-5,9-10H2,(H,20,21)