N-ethyl-N-[[5-[3-methanoyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-pyridin-3-yl]methyl]-methyl-boronamidic acid

Systemtic Name: N-ethyl-N-[[5-[3-methanoyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-pyridin-3-yl]methyl]-methyl-boronamidic acid Openeye Name: N-ethyl-N-[[5-(3-formyl-1-tetrahydropyran-2-yl-indazol-5-yl)-4-methyl-3-pyridyl]methyl]-methyl-boronamidic acid CAS Name: N-ethyl-N-[[5-[3-formyl-1-(2-oxanyl)-5-indazolyl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid IUPAC Name: N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methylpyridin-3-yl]methyl]-methylboronamidic acid Traditional Name: N-ethyl-N-[[5-(3-formyl-1-tetrahydropyran-2-yl-indazol-5-yl)-4-methyl-3-pyridyl]methyl]-methyl-boronamidic acid Formula: C23H29BN4O3 MolecularWeight: 420.31236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC)CC1=C(C(=CN=C1)C2=CC3=C(C=C2)N(N=C3C=O)C4CCCCO4)C)O

Isomeric SMILES

B(C)(N(CC)CC1=C(C(=CN=C1)C2=CC3=C(C=C2)N(N=C3C=O)C4CCCCO4)C)O

InChI

InChI=1S/C23H29BN4O3/c1-4-27(24(3)30)14-18-12-25-13-20(16(18)2)17-8-9-22-19(11-17)21(15-29)26-28(22)23-7-5-6-10-31-23/h8-9,11-13,15,23,30H,4-7,10,14H2,1-3H3