methyl 2-[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC)C

InChI

InChI=1S/C22H25FN4O3S/c1-5-27-14(2)16(10-24-27)11-26(3)12-19(28)25-21-20(22(29)30-4)18(13-31-21)15-6-8-17(23)9-7-15/h6-10,13H,5,11-12H2,1-4H3,(H,25,28)