methyl 4-[4-(1H-pyrazol-5-ylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-(1H-pyrazol-5-ylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]benzoate CAS Name: 4-[4-[oxo(1H-pyrazol-5-yl)methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(1H-pyrazole-5-carbonyl)piperazino]benzoic acid methyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=NN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=NN3

InChI

InChI=1S/C16H18N4O3/c1-23-16(22)12-2-4-13(5-3-12)19-8-10-20(11-9-19)15(21)14-6-7-17-18-14/h2-7H,8-11H2,1H3,(H,17,18)