methyl 4-[2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-31-25(30)20-11-9-18(10-12-20)13-14-26-24(29)21-17-28(16-19-6-3-2-4-7-19)27-23(21)22-8-5-15-32-22/h2-12,15,17H,13-14,16H2,1H3,(H,26,29)