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

Systemtic Name: methyl 7-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]heptanoate Traditional Name: 7-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]enanthic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-29-21(27)13-7-2-3-8-14-24-23(28)19-17-26(16-18-10-5-4-6-11-18)25-22(19)20-12-9-15-30-20/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,24,28)