1,3-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]anthracene-9,10-dione

Systemtic Name: 1,3-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]anthracene-9,10-dione Openeye Name: 1,3-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]anthracene-9,10-dione CAS Name: 1,3-dimethoxy-2-[(4-phenyl-1-piperazinyl)methyl]anthracene-9,10-dione IUPAC Name: 1,3-dimethoxy-2-[(4-phenylpiperazin-1-yl)methyl]anthracene-9,10-dione Traditional Name: 1,3-dimethoxy-2-[(4-phenylpiperazino)methyl]-9,10-anthraquinone Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-32-23-16-21-24(26(31)20-11-7-6-10-19(20)25(21)30)27(33-2)22(23)17-28-12-14-29(15-13-28)18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3