4-[2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20ClN3O3/c22-15-7-5-14(6-8-15)21(28)9-11-25(12-10-21)19(26)13-18-16-3-1-2-4-17(16)20(27)24-23-18/h1-8,28H,9-13H2,(H,24,27)