methyl 7-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]heptanoate Openeye Name: methyl 7-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]heptanoate Traditional Name: 7-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]enanthic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-28-20(26)13-7-2-3-8-14-23-22(27)18-16-25(17-10-5-4-6-11-17)24-21(18)19-12-9-15-29-19/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,23,27)