1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone CAS Name: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-(1-phthalazinyloxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-phthalazin-1-yloxyethanone Traditional Name: 1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-phthalazin-1-yloxy-ethanone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3/c1-14-10-19(15(2)24(14)12-17-7-5-9-26-17)20(25)13-27-21-18-8-4-3-6-16(18)11-22-23-21/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3