2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(2-ketochromene-3-carbonyl)piperazino]-2-o-veratryl-isoindoline-1,3-quinone Formula: C31H27N3O7 MolecularWeight: 553.56198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C31H27N3O7/c1-39-25-12-5-8-20(27(25)40-2)18-34-29(36)21-9-6-10-23(26(21)30(34)37)32-13-15-33(16-14-32)28(35)22-17-19-7-3-4-11-24(19)41-31(22)38/h3-12,17H,13-16,18H2,1-2H3