N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3/c1-12-17(22(24)25)13(2)21(19-12)11-16(23)18-10-15(20(3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3,(H,18,23)/t15-/m1/s1