[4-[[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methyl-cinnolin-7-yl]oxymethyl]piperidin-1-yl]carbonylboron

Systemtic Name: [4-[[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methyl-cinnolin-7-yl]oxymethyl]piperidin-1-yl]carbonylboron Openeye Name: [4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-cinnolin-7-yl]oxymethyl]piperidine-1-carbonyl]boron CAS Name: [[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-7-cinnolinyl]oxymethyl]-1-piperidinyl]-oxomethyl]boron IUPAC Name: [4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methylcinnolin-7-yl]oxymethyl]piperidine-1-carbonyl]boron Traditional Name: [4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-cinnolin-7-yl]oxymethyl]piperidine-1-carbonyl]boron Formula: C25H24BFN4O3 MolecularWeight: 458.292463

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=NC=C3OC4=C(C5=C(C=C4)NC(=C5)C)F)C

Isomeric SMILES

[B]C(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=NC=C3OC4=C(C5=C(C=C4)NC(=C5)C)F)C

InChI

InChI=1S/C25H24BFN4O3/c1-14-9-17-20(11-22(14)33-13-16-5-7-31(8-6-16)25(26)32)30-28-12-23(17)34-21-4-3-19-18(24(21)27)10-15(2)29-19/h3-4,9-12,16,29H,5-8,13H2,1-2H3