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

Systemtic Name: bis[3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] carbonate Openeye Name: bis[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] carbonate CAS Name: carbonic acid bis[3-[4-[9-acridinyl(oxo)methyl]-1-piperazinyl]phenyl] ester IUPAC Name: bis[3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] carbonate Traditional Name: carbonic acid bis[3-[4-(acridine-9-carbonyl)piperazino]phenyl] ester Formula: C49H40N6O5 MolecularWeight: 792.8791

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OC(=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)OC(=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/C49H40N6O5/c56-47(45-37-15-1-5-19-41(37)50-42-20-6-2-16-38(42)45)54-27-23-52(24-28-54)33-11-9-13-35(31-33)59-49(58)60-36-14-10-12-34(32-36)53-25-29-55(30-26-53)48(57)46-39-17-3-7-21-43(39)51-44-22-8-4-18-40(44)46/h1-22,31-32H,23-30H2