1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C28H25N3O3S MolecularWeight: 483.5814

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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)OCCO6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H25N3O3S/c32-26(31-14-6-11-23(31)20-12-13-24-25(17-20)34-16-15-33-24)18-35-28-22-10-5-4-9-21(22)27(29-30-28)19-7-2-1-3-8-19/h1-5,7-10,12-13,17,23H,6,11,14-16,18H2/t23-/m0/s1