4-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperazino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c31-25-21-9-5-4-8-20(21)24(26-27-25)19-10-11-22(23(16-19)30(32)33)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,31)