1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=CN=C1SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3S/c1-27-21(18-7-3-2-4-8-18)16-26-25(27)32-17-24(29)28-12-5-9-20(28)19-10-11-22-23(15-19)31-14-6-13-30-22/h2-4,7-8,10-11,15-16,20H,5-6,9,12-14,17H2,1H3