N-cyclohexyl-2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-aniline

Systemtic Name: N-cyclohexyl-2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-aniline Openeye Name: N-cyclohexyl-2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-aniline CAS Name: N-cyclohexyl-2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-pyrazolyl]-4-nitroaniline IUPAC Name: N-cyclohexyl-2-[4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazol-3-yl]-4-nitroaniline Traditional Name: cyclohexyl-[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]amine Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCCC3)C

Isomeric SMILES

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCCC3)C

InChI

InChI=1S/C22H28N4O2/c1-22(2,3)13-12-16-15-25(4)24-21(16)19-14-18(26(27)28)10-11-20(19)23-17-8-6-5-7-9-17/h10-11,14-15,17,23H,5-9H2,1-4H3