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

Systemtic Name: [3-(4-acridin-9-ylcarbonylpiperazin-1-yl)phenyl] benzoate Openeye Name: [3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] benzoate CAS Name: benzoic acid [3-[4-[9-acridinyl(oxo)methyl]-1-piperazinyl]phenyl] ester IUPAC Name: [3-[4-(acridine-9-carbonyl)piperazin-1-yl]phenyl] benzoate Traditional Name: benzoic acid [3-[4-(acridine-9-carbonyl)piperazino]phenyl] ester Formula: C31H25N3O3 MolecularWeight: 487.5485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64

InChI

InChI=1S/C31H25N3O3/c35-30(29-25-13-4-6-15-27(25)32-28-16-7-5-14-26(28)29)34-19-17-33(18-20-34)23-11-8-12-24(21-23)37-31(36)22-9-2-1-3-10-22/h1-16,21H,17-20H2