4-(4-chlorophenyl)-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]phthalazin-1-one Formula: C34H26ClN5O5S MolecularWeight: 652.11874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C34H26ClN5O5S/c35-26-12-9-24(10-13-26)33-29-7-3-4-8-30(29)34(41)39(36-33)32-22-27(14-16-31(32)40(42)43)37-17-19-38(20-18-37)46(44,45)28-15-11-23-5-1-2-6-25(23)21-28/h1-16,21-22H,17-20H2