N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(4-sec-butylphenyl)propyl]pyrazole-3-carboxamide Formula: C23H30N6O3 MolecularWeight: 438.5227

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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(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O3/c1-6-15(3)18-8-10-19(11-9-18)20(7-2)24-23(30)21-12-13-27(26-21)14-28-17(5)22(29(31)32)16(4)25-28/h8-13,15,20H,6-7,14H2,1-5H3,(H,24,30)