3-[[5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]-N-(phenylmethyl)-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: 3-[[5-ethyl-1-(4-nitrophenyl)pyrazol-4-yl]carbonylamino]-N-(phenylmethyl)-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-benzyl-3-[[5-ethyl-1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-[[[5-ethyl-1-(4-nitrophenyl)-4-pyrazolyl]-oxomethyl]amino]-N-(phenylmethyl)-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-benzyl-3-[[5-ethyl-1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-benzyl-3-[[5-ethyl-1-(4-nitrophenyl)pyrazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxamide Formula: C22H20N8O4 MolecularWeight: 460.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=NNC(=N3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=NNC(=N3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N8O4/c1-2-18-17(13-24-29(18)15-8-10-16(11-9-15)30(33)34)20(31)26-22-25-19(27-28-22)21(32)23-12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,23,32)(H2,25,26,27,28,31)