9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]anthracene-2-carboxamide

Systemtic Name: 9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[(1S)-2-keto-1-methylol-2-(4-phenylpiperazino)ethyl]anthracene-2-carboxamide Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H25N3O5/c32-17-24(28(36)31-14-12-30(13-15-31)19-6-2-1-3-7-19)29-27(35)18-10-11-22-23(16-18)26(34)21-9-5-4-8-20(21)25(22)33/h1-11,16,24,32H,12-15,17H2,(H,29,35)/t24-/m0/s1