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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] anthracene-9-carboxylate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c32-25(30-14-16-31(17-15-30)28(34)29-22-10-2-1-3-11-22)19-35-27(33)26-23-12-6-4-8-20(23)18-21-9-5-7-13-24(21)26/h1-13,18H,14-17,19H2,(H,29,34)