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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-1-phenyl-propyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-1-phenyl-propyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-methyl-1-phenylpropyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-methyl-1-phenylpropyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-1-phenyl-propyl)benzamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-15(2)21(19-8-6-5-7-9-19)24-23(28)20-12-10-18(11-13-20)14-26-17(4)22(27(29)30)16(3)25-26/h5-13,15,21H,14H2,1-4H3,(H,24,28)