N-[(1S)-1-(4-tert-butylphenyl)-2-methyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(4-tert-butylphenyl)-2-methyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(1S)-1-(4-tert-butylphenyl)-2-methyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(1S)-1-(4-tert-butylphenyl)-2-methyl-propyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C2=CC=C(C=C2)C(C)(C)C)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H](C2=CC=C(C=C2)C(C)(C)C)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O3/c1-13(2)19(16-8-10-17(11-9-16)21(5,6)7)22-18(26)12-24-15(4)20(25(27)28)14(3)23-24/h8-11,13,19H,12H2,1-7H3,(H,22,26)/t19-/m0/s1