[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] anthracene-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] anthracene-9-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H24N2O3 MolecularWeight: 424.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C27H24N2O3/c30-25(29-16-14-28(15-17-29)22-10-2-1-3-11-22)19-32-27(31)26-23-12-6-4-8-20(23)18-21-9-5-7-13-24(21)26/h1-13,18H,14-17,19H2