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

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(3-methyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(3-methylquinoxalin-2-yl)thio]ethanone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H25N3O3S/c1-16-24(26-19-7-3-2-6-18(19)25-16)31-15-23(28)27-11-4-8-20(27)17-9-10-21-22(14-17)30-13-5-12-29-21/h2-3,6-7,9-10,14,20H,4-5,8,11-13,15H2,1H3