methyl 7-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]heptanoate CAS Name: 7-[[[3-(4-bromophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]heptanoate Traditional Name: 7-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]enanthic acid methyl ester Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

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