N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O3/c1-4-14(3)15-6-8-16(9-7-15)17(5-2)22-19(28)18-10-11-25(23-18)13-26-12-21-20(24-26)27(29)30/h6-12,14,17H,4-5,13H2,1-3H3,(H,22,28)