2-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phthalazin-1-one Openeye Name: 2-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phthalazin-1-one CAS Name: 2-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phthalazin-1-one Traditional Name: 2-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phthalazin-1-one Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCNCC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCNCC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C18H18ClN3O2/c19-15-6-3-5-13(10-15)17(23)12-20-8-9-22-18(24)16-7-2-1-4-14(16)11-21-22/h1-7,10-11,17,20,23H,8-9,12H2