4-[4-[[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]carbamoylamino]-3-fluoranyl-phenoxy]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[4-[[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]carbamoylamino]-3-fluoranyl-phenoxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[4-[[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[4-[[[[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]amino]-oxomethyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[4-[[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[4-[[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-picolinamide Formula: C27H26FN7O5 MolecularWeight: 547.537643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26FN7O5/c1-27(2,3)23-15-24(34(33-23)16-5-7-17(8-6-16)35(38)39)32-26(37)31-21-10-9-18(13-20(21)28)40-19-11-12-30-22(14-19)25(36)29-4/h5-15H,1-4H3,(H,29,36)(H2,31,32,37)