1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(phthalazin-1-ylthio)ethanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21N3O3S/c26-21(14-29-22-17-5-2-1-4-16(17)13-23-24-22)25-9-3-6-18(25)15-7-8-19-20(12-15)28-11-10-27-19/h1-2,4-5,7-8,12-13,18H,3,6,9-11,14H2