N-(6-methylheptan-2-yl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanamide

Systemtic Name: N-(6-methylheptan-2-yl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide CAS Name: N-(6-methylheptan-2-yl)-2-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]acetamide IUPAC Name: N-(6-methylheptan-2-yl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]acetamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CN1C=C(C(=N1)C2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CN1C=C(C(=N1)C2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c1-16(2)8-7-9-17(3)24-21(29)15-26-14-20(28(30)31)22(25-26)18-12-23-27(13-18)19-10-5-4-6-11-19/h4-6,10-14,16-17H,7-9,15H2,1-3H3,(H,24,29)