[4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]-phenylmethanone IUPAC Name: [4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [4-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C)Br

InChI

InChI=1S/C21H21BrN2O3/c1-14-20(22)15(2)24(23-14)12-18(25)13-27-19-10-8-17(9-11-19)21(26)16-6-4-3-5-7-16/h3-11,18,25H,12-13H2,1-2H3