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

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C29H27N3O3S/c33-27(32-15-6-12-24(32)21-13-14-25-26(18-21)35-17-7-16-34-25)19-36-29-23-11-5-4-10-22(23)28(30-31-29)20-8-2-1-3-9-20/h1-5,8-11,13-14,18,24H,6-7,12,15-17,19H2