N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(piperonylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C25H21ClN2O6 MolecularWeight: 480.89704

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)Cl)OC1

InChI

InChI=1S/C25H21ClN2O6/c26-18-11-16(12-22-23(18)32-9-3-8-31-22)24(29)28-19-5-2-1-4-17(19)25(30)27-13-15-6-7-20-21(10-15)34-14-33-20/h1-2,4-7,10-12H,3,8-9,13-14H2,(H,27,30)(H,28,29)