4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15(2)26-21(28)17-8-4-3-7-16(17)20(23-26)22(29)25-13-11-24(12-14-25)18-9-5-6-10-19(18)27(30)31/h3-10,15H,11-14H2,1-2H3