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

Systemtic Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(CN(C)C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3/c1-16-22(28(30)31)17(2)27(25-16)14-18-10-12-20(13-11-18)23(29)24-21(15-26(3)4)19-8-6-5-7-9-19/h5-13,21H,14-15H2,1-4H3,(H,24,29)/t21-/m1/s1