N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propylpyrazole-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-1-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxamide Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCN(C)C

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCN(C)C

InChI

InChI=1S/C17H23N5O3/c1-4-5-16-15(17(23)18-10-11-20(2)3)12-19-21(16)13-6-8-14(9-7-13)22(24)25/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,23)