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

Systemtic Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(1-piperazinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-(2-nitro-5-piperazino-phenyl)phthalazin-1-one Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H20ClN5O3/c25-17-7-5-16(6-8-17)23-19-3-1-2-4-20(19)24(31)29(27-23)22-15-18(9-10-21(22)30(32)33)28-13-11-26-12-14-28/h1-10,15,26H,11-14H2