1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]pyrazole-3-carboxamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4/c1-15-20(28(30)31)16(2)27(24-15)13-11-23-21(29)19-10-12-26(25-19)14-32-18-8-6-17(7-9-18)22(3,4)5/h6-10,12H,11,13-14H2,1-5H3,(H,23,29)