methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholino-benzoate CAS Name: 5-[[[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carbonyl]amino]-2-morpholino-benzoic acid methyl ester Formula: C27H31FN4O4 MolecularWeight: 494.557843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O4/c1-27(2,3)24-16-23(32(30-24)17-18-5-7-19(28)8-6-18)25(33)29-20-9-10-22(21(15-20)26(34)35-4)31-11-13-36-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3,(H,29,33)