methyl 6-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]hexanoic acid methyl ester Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C18H22BrN3O3/c1-13-16(12-21-22(13)15-9-7-14(19)8-10-15)18(24)20-11-5-3-4-6-17(23)25-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,24)