1-(oxan-2-yl)-6-[[2-(prop-2-ynylcarbamoyl)phenyl]amino]indazole-3-carboxylic acid

Systemtic Name: 1-(oxan-2-yl)-6-[[2-(prop-2-ynylcarbamoyl)phenyl]amino]indazole-3-carboxylic acid Openeye Name: 6-[2-(prop-2-ynylcarbamoyl)anilino]-1-tetrahydropyran-2-yl-indazole-3-carboxylic acid CAS Name: 1-(2-oxanyl)-6-[2-[oxo-(prop-2-ynylamino)methyl]anilino]-3-indazolecarboxylic acid IUPAC Name: 1-(oxan-2-yl)-6-[2-(prop-2-ynylcarbamoyl)anilino]indazole-3-carboxylic acid Traditional Name: 6-[2-(propargylcarbamoyl)anilino]-1-tetrahydropyran-2-yl-indazole-3-carboxylic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=NN3C4CCCCO4)C(=O)O

Isomeric SMILES

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=NN3C4CCCCO4)C(=O)O

InChI

InChI=1S/C23H22N4O4/c1-2-12-24-22(28)16-7-3-4-8-18(16)25-15-10-11-17-19(14-15)27(26-21(17)23(29)30)20-9-5-6-13-31-20/h1,3-4,7-8,10-11,14,20,25H,5-6,9,12-13H2,(H,24,28)(H,29,30)