3-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide Openeye Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-ethoxy-4-methoxy-benzamide CAS Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-ethoxy-4-methoxybenzamide IUPAC Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide Traditional Name: 3-bromo-5-ethoxy-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-methoxy-benzamide Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Br)OC

InChI

InChI=1S/C21H22BrN3O4/c1-5-29-17-12-14(11-16(22)19(17)28-4)20(26)23-18-13(2)24(3)25(21(18)27)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3,(H,23,26)