2-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-nitro-phthalazin-1-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-7-nitro-phthalazin-1-one Openeye Name: 2-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-7-nitro-phthalazin-1-one CAS Name: 2-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-7-nitro-1-phthalazinone IUPAC Name: 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-nitrophthalazin-1-one Traditional Name: 2-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-7-nitro-phthalazin-1-one Formula: C22H21FN4O4 MolecularWeight: 424.424943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C22H21FN4O4/c23-18-4-1-15(2-5-18)21(28)16-7-9-25(10-8-16)11-12-26-22(29)20-13-19(27(30)31)6-3-17(20)14-24-26/h1-6,13-14,16H,7-12H2