methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20BrN3O3/c1-14-18(13-23-25(14)17-10-8-16(22)9-11-17)21(27)24-19(12-20(26)28-2)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3,(H,24,27)