bis[3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] hydrogen phosphate

Systemtic Name: bis[3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] hydrogen phosphate Openeye Name: bis[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] hydrogen phosphate CAS Name: bis[3-[4-[9-acridinyl(oxo)methyl]-1-piperazinyl]phenyl] hydrogen phosphate IUPAC Name: bis[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] hydrogen phosphate Traditional Name: bis[3-[4-(acridine-9-carbonyl)piperazino]phenyl] hydrogen phosphate Formula: C48H41N6O6P MolecularWeight: 828.849501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OP(=O)(O)OC3=CC=CC(=C3)N4CCN(CC4)C(=O)C5=C6C=CC=CC6=NC7=CC=CC=C75)C(=O)C8=C9C=CC=CC9=NC1=CC=CC=C18

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)OP(=O)(O)OC3=CC=CC(=C3)N4CCN(CC4)C(=O)C5=C6C=CC=CC6=NC7=CC=CC=C75)C(=O)C8=C9C=CC=CC9=NC1=CC=CC=C18

InChI

InChI=1S/C48H41N6O6P/c55-47(45-37-15-1-5-19-41(37)49-42-20-6-2-16-38(42)45)53-27-23-51(24-28-53)33-11-9-13-35(31-33)59-61(57,58)60-36-14-10-12-34(32-36)52-25-29-54(30-26-52)48(56)46-39-17-3-7-21-43(39)50-44-22-8-4-18-40(44)46/h1-22,31-32H,23-30H2,(H,57,58)