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

Systemtic Name: N-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-diethoxy-benzamide Openeye Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-diethoxy-benzamide CAS Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3,4-diethoxybenzamide IUPAC Name: N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,4-diethoxybenzamide Traditional Name: N-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3,4-diethoxy-benzamide Formula: C21H20BrCl2N3O3 MolecularWeight: 513.2118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrCl2N3O3/c1-3-29-18-8-6-14(10-19(18)30-4-2)21(28)25-20-15(22)12-27(26-20)11-13-5-7-16(23)17(24)9-13/h5-10,12H,3-4,11H2,1-2H3,(H,25,26,28)