3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Openeye Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide CAS Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(2-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide Traditional Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(2-pyridylmethyl)pyrazole-4-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3CC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C21H21N5O3/c1-2-18-19(21(27)23-13-15-5-3-4-12-22-15)20(14-6-7-14)24-25(18)16-8-10-17(11-9-16)26(28)29/h3-5,8-12,14H,2,6-7,13H2,1H3,(H,23,27)