1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H27N3O3S/c1-18-15-21(19-7-3-2-4-8-19)28-26(27-18)33-17-25(30)29-12-5-9-22(29)20-10-11-23-24(16-20)32-14-6-13-31-23/h2-4,7-8,10-11,15-16,22H,5-6,9,12-14,17H2,1H3