ethyl 5-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]anilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC(=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H22BrN5O3/c1-5-29-20(28)17-10-16(24-25(17)4)19(27)22-15-8-6-7-14(9-15)11-26-13(3)18(21)12(2)23-26/h6-10H,5,11H2,1-4H3,(H,22,27)