N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-3,4,5-trimethoxy-benzamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C)Br

InChI

InChI=1S/C21H22BrN3O4/c1-12-19(22)13(2)25(24-12)16-8-6-15(7-9-16)23-21(26)14-10-17(27-3)20(29-5)18(11-14)28-4/h6-11H,1-5H3,(H,23,26)