5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Openeye Name: 3-isobutyl-5-methyl-1-(4-nitrophenyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide CAS Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-N-(2-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Traditional Name: 3-isobutyl-5-methyl-1-(4-nitrophenyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H23N5O3/c1-14(2)12-19-20(21(27)23-13-16-6-4-5-11-22-16)15(3)25(24-19)17-7-9-18(10-8-17)26(28)29/h4-11,14H,12-13H2,1-3H3,(H,23,27)