4-[2-oxidanylidene-2-[(3S,4S)-3-oxidanyl-4-phenyl-piperidin-1-yl]ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-oxidanylidene-2-[(3S,4S)-3-oxidanyl-4-phenyl-piperidin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[(3S,4S)-3-hydroxy-4-phenyl-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[(3S,4S)-3-hydroxy-4-phenyl-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[(3S,4S)-3-hydroxy-4-phenyl-piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=CC=C2)O)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=CC=CC=C2)O)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3/c25-19-13-24(11-10-15(19)14-6-2-1-3-7-14)20(26)12-18-16-8-4-5-9-17(16)21(27)23-22-18/h1-9,15,19,25H,10-13H2,(H,23,27)/t15-,19+/m0/s1