1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]butane-1,4-dione Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)OC1

InChI

InChI=1S/C25H27N3O5/c29-21(17-6-8-22-23(16-17)33-15-3-14-32-22)7-9-24(30)27-12-10-18(11-13-27)28-20-5-2-1-4-19(20)26-25(28)31/h1-2,4-6,8,16,18H,3,7,9-15H2,(H,26,31)