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

Systemtic Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(1-piperidyl)phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperidino-phenyl)phthalazin-1-one Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN4O3/c26-18-10-8-17(9-11-18)24-20-6-2-3-7-21(20)25(31)29(27-24)23-16-19(12-13-22(23)30(32)33)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2