4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14(18-7-5-4-6-8-18)22-21(26)19-11-9-17(10-12-19)13-24-16(3)20(25(27)28)15(2)23-24/h4-12,14H,13H2,1-3H3,(H,22,26)/t14-/m1/s1