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

Systemtic Name: 2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-N-[(1R)-1-phenylethyl]aniline Openeye Name: 2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-N-[(1R)-1-phenylethyl]aniline CAS Name: 2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-pyrazolyl]-4-nitro-N-[(1R)-1-phenylethyl]aniline IUPAC Name: 2-[4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazol-3-yl]-4-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]-[(1R)-1-phenylethyl]amine Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C=C3C#CC(C)(C)C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C3=NN(C=C3C#CC(C)(C)C)C

InChI

InChI=1S/C24H26N4O2/c1-17(18-9-7-6-8-10-18)25-22-12-11-20(28(29)30)15-21(22)23-19(16-27(5)26-23)13-14-24(2,3)4/h6-12,15-17,25H,1-5H3/t17-/m1/s1