2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide Openeye Name: 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-N-(2-thienylmethyl)pyrazole-3-carboxamide CAS Name: 2-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide Traditional Name: 2-[[3-(3-nitrophenyl)-2-isoxazolin-5-yl]methyl]-5-phenyl-N-(2-thenyl)pyrazole-3-carboxamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC=CS5

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)[N+](=O)[O-])CN3C(=CC(=N3)C4=CC=CC=C4)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C25H21N5O4S/c31-25(26-15-21-10-5-11-35-21)24-14-22(17-6-2-1-3-7-17)27-29(24)16-20-13-23(28-34-20)18-8-4-9-19(12-18)30(32)33/h1-12,14,20H,13,15-16H2,(H,26,31)