N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3,4-diethoxy-benzamide

Systemtic Name: N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3,4-diethoxy-benzamide Openeye Name: N-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-3,4-diethoxy-benzamide CAS Name: N-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-3,4-diethoxybenzamide IUPAC Name: N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3,4-diethoxybenzamide Traditional Name: N-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-3,4-diethoxy-benzamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN(C=C2Br)CC3=CC=CC(=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN(C=C2Br)CC3=CC=CC(=C3)C)OCC

InChI

InChI=1S/C22H24BrN3O3/c1-4-28-19-10-9-17(12-20(19)29-5-2)22(27)24-21-18(23)14-26(25-21)13-16-8-6-7-15(3)11-16/h6-12,14H,4-5,13H2,1-3H3,(H,24,25,27)