3-bromanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide Openeye Name: 3-bromo-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide CAS Name: 3-bromo-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-ethoxy-4-methoxybenzamide IUPAC Name: 3-bromo-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide Traditional Name: 3-bromo-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)Br)OC

InChI

InChI=1S/C21H22BrN3O3/c1-5-28-18-12-15(11-17(22)20(18)27-4)21(26)23-19-13(2)24-25(14(19)3)16-9-7-6-8-10-16/h6-12H,5H2,1-4H3,(H,23,26)