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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C)Br

InChI

InChI=1S/C20H18BrN3O3/c1-12-19(21)13(2)24(23-12)10-14-4-3-5-15(8-14)20(25)22-16-6-7-17-18(9-16)27-11-26-17/h3-9H,10-11H2,1-2H3,(H,22,25)