propan-2-yl 4-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22BrN5O3 MolecularWeight: 460.32438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C20H22BrN5O3/c1-4-25-12-17(18(24-25)20(28)29-13(2)3)23-19(27)15-7-5-6-14(8-15)10-26-11-16(21)9-22-26/h5-9,11-13H,4,10H2,1-3H3,(H,23,27)