4-(4-chlorophenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-(2-nitro-5-pyrrolidino-phenyl)phthalazin-1-one Formula: C24H19ClN4O3 MolecularWeight: 446.88566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H19ClN4O3/c25-17-9-7-16(8-10-17)23-19-5-1-2-6-20(19)24(30)28(26-23)22-15-18(27-13-3-4-14-27)11-12-21(22)29(31)32/h1-2,5-12,15H,3-4,13-14H2