[6-methoxy-7-(4-oxidanylbut-1-ynyl)-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [6-methoxy-7-(4-oxidanylbut-1-ynyl)-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [7-(4-hydroxybut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [7-(4-hydroxybut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [7-(4-hydroxybut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [7-(4-hydroxybut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H22N2O6 MolecularWeight: 410.41988

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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#CCCO

Isomeric SMILES

COC1=C(C2=NNC(=C2C=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C#CCCO

InChI

InChI=1S/C22H22N2O6/c1-27-16-9-8-15-19(14(16)7-5-6-10-25)23-24-20(15)21(26)13-11-17(28-2)22(30-4)18(12-13)29-3/h8-9,11-12,25H,6,10H2,1-4H3,(H,23,24)