4-(4-fluorophenyl)-2-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one

Systemtic Name: 4-(4-fluorophenyl)-2-[(2S)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one Openeye Name: 4-(4-fluorophenyl)-2-[(2S)-2-hydroxy-3-(2-thienylmethoxy)propyl]phthalazin-1-one CAS Name: 4-(4-fluorophenyl)-2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-1-phthalazinone IUPAC Name: 4-(4-fluorophenyl)-2-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]phthalazin-1-one Traditional Name: 4-(4-fluorophenyl)-2-[(2S)-2-hydroxy-3-(2-thenyloxy)propyl]phthalazin-1-one Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COCC3=CC=CS3)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@@H](COCC3=CC=CS3)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O3S/c23-16-9-7-15(8-10-16)21-19-5-1-2-6-20(19)22(27)25(24-21)12-17(26)13-28-14-18-4-3-11-29-18/h1-11,17,26H,12-14H2/t17-/m0/s1