2-[2-[(3S)-3-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[(3S)-3-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[(3S)-3-(dimethylamino)-1-piperidyl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[(3S)-3-(dimethylamino)-1-piperidinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[(3S)-3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[(3S)-3-(dimethylamino)piperidino]-2-keto-ethyl]phthalazin-1-one Formula: C17H22N4O2 MolecularWeight: 314.38218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CN(C)[C@H]1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C17H22N4O2/c1-19(2)14-7-5-9-20(11-14)16(22)12-21-17(23)15-8-4-3-6-13(15)10-18-21/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3/t14-/m0/s1