[5-azanyl-3-(2-bromanylpyridin-3-yl)-1-(2-methylphenyl)pyrazol-4-yl]-(3-iodanylphenyl)methanone

Systemtic Name: [5-azanyl-3-(2-bromanylpyridin-3-yl)-1-(2-methylphenyl)pyrazol-4-yl]-(3-iodanylphenyl)methanone Openeye Name: [5-amino-3-(2-bromo-3-pyridyl)-1-(o-tolyl)pyrazol-4-yl]-(3-iodophenyl)methanone CAS Name: [5-amino-3-(2-bromo-3-pyridinyl)-1-(2-methylphenyl)-4-pyrazolyl]-(3-iodophenyl)methanone IUPAC Name: [5-amino-3-(2-bromopyridin-3-yl)-1-(2-methylphenyl)pyrazol-4-yl]-(3-iodophenyl)methanone Traditional Name: [5-amino-3-(2-bromo-3-pyridyl)-1-(o-tolyl)pyrazol-4-yl]-(3-iodophenyl)methanone Formula: C22H16BrIN4O MolecularWeight: 559.19711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C3=C(N=CC=C3)Br)C(=O)C4=CC(=CC=C4)I)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C3=C(N=CC=C3)Br)C(=O)C4=CC(=CC=C4)I)N

InChI

InChI=1S/C22H16BrIN4O/c1-13-6-2-3-10-17(13)28-22(25)18(20(29)14-7-4-8-15(24)12-14)19(27-28)16-9-5-11-26-21(16)23/h2-12H,25H2,1H3