2-[3-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-2H-indazol-7-yl]prop-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-2H-indazol-7-yl]prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-[6-methoxy-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-7-yl]prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-2H-indazol-7-yl]prop-2-ynyl]isoindoline-1,3-quinone Formula: C29H23N3O7 MolecularWeight: 525.50882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=NNC(=C2C=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=C(C2=NNC(=C2C=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H23N3O7/c1-36-21-12-11-20-24(19(21)10-7-13-32-28(34)17-8-5-6-9-18(17)29(32)35)30-31-25(20)26(33)16-14-22(37-2)27(39-4)23(15-16)38-3/h5-6,8-9,11-12,14-15H,13H2,1-4H3,(H,30,31)