4-oxidanylidene-3-[3-oxidanylidene-3-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]propyl]phthalazin-1-olate Openeye Name: 3-[3-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]propyl]-1-phthalazinolate IUPAC Name: 3-[3-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C28H29N5O3 MolecularWeight: 483.56156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCN4C(=O)C5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C28H29N5O3/c34-26(14-15-33-28(36)25-9-5-4-8-24(25)27(35)30-33)29-22-10-12-23(13-11-22)32-18-16-31(17-19-32)20-21-6-2-1-3-7-21/h1-13H,14-20H2,(H,29,34)(H,30,35)