methyl 4-[5-[(4-bromophenyl)carbamoylamino]-3-tert-butyl-pyrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(4-bromophenyl)carbamoylamino]-3-tert-butyl-pyrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(4-bromophenyl)carbamoylamino]-3-tert-butyl-pyrazol-1-yl]benzoate CAS Name: 4-[5-[[(4-bromoanilino)-oxomethyl]amino]-3-tert-butyl-1-pyrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-bromophenyl)carbamoylamino]-3-tert-butylpyrazol-1-yl]benzoate Traditional Name: 4-[5-[(4-bromophenyl)carbamoylamino]-3-tert-butyl-pyrazol-1-yl]benzoic acid methyl ester Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23BrN4O3/c1-22(2,3)18-13-19(25-21(29)24-16-9-7-15(23)8-10-16)27(26-18)17-11-5-14(6-12-17)20(28)30-4/h5-13H,1-4H3,(H2,24,25,29)