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

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

CC(C#CC1=C(C=CC2=C(NN=C21)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC)O

Isomeric SMILES

CC(C#CC1=C(C=CC2=C(NN=C21)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC)O

InChI

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