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

Systemtic Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Openeye Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(3-pyridylmethyl)pyrazole-4-carboxamide CAS Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(3-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Traditional Name: 3-cyclopropyl-5-ethyl-1-(4-nitrophenyl)-N-(3-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=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3CC3)C(=O)NCC4=CN=CC=C4

InChI

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