N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-piperonyl-butyramide Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c23-16(15-3-6-17-20(11-15)26-9-1-8-25-17)4-7-21(24)22-12-14-2-5-18-19(10-14)28-13-27-18/h2-3,5-6,10-11H,1,4,7-9,12-13H2,(H,22,24)