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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=CC=C2)O)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(C[C@H]([C@@H]1C2=CC=CC=C2)O)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H21N3O3/c25-19-13-23(11-10-17(19)15-6-2-1-3-7-15)20(26)14-24-21(27)18-9-5-4-8-16(18)12-22-24/h1-9,12,17,19,25H,10-11,13-14H2/t17-,19+/m0/s1