N-[4-(2-azanyl-2-methyl-propoxy)-3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-(2-azanyl-2-methyl-propoxy)-3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-(2-amino-2-methyl-propoxy)-3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]-3-fluoro-benzamide CAS Name: N-[4-(2-amino-2-methylpropoxy)-3-(4-bromo-2-methyl-3-pyrazolyl)phenyl]-3-fluorobenzamide IUPAC Name: N-[4-(2-amino-2-methylpropoxy)-3-(4-bromo-2-methylpyrazol-3-yl)phenyl]-3-fluorobenzamide Traditional Name: N-[4-(2-amino-2-methyl-propoxy)-3-(4-bromo-2-methyl-pyrazol-3-yl)phenyl]-3-fluoro-benzamide Formula: C21H22BrFN4O2 MolecularWeight: 461.327383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)F)C3=C(C=NN3C)Br)N

Isomeric SMILES

CC(C)(COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)F)C3=C(C=NN3C)Br)N

InChI

InChI=1S/C21H22BrFN4O2/c1-21(2,24)12-29-18-8-7-15(10-16(18)19-17(22)11-25-27(19)3)26-20(28)13-5-4-6-14(23)9-13/h4-11H,12,24H2,1-3H3,(H,26,28)