2-[(2,3-dimethoxyphenyl)methyl]-4-(4-quinolin-6-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-(4-quinolin-6-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[oxo(6-quinolinyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(quinoline-6-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-o-veratryl-4-[4-(quinoline-6-carbonyl)piperazino]isoindoline-1,3-quinone Formula: C31H28N4O5 MolecularWeight: 536.57782

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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=C(C=C5)N=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C31H28N4O5/c1-39-26-10-3-6-22(28(26)40-2)19-35-30(37)23-8-4-9-25(27(23)31(35)38)33-14-16-34(17-15-33)29(36)21-11-12-24-20(18-21)7-5-13-32-24/h3-13,18H,14-17,19H2,1-2H3