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

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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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)NC(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-14(20-6-5-7-21(12-20)25-17(4)29)24-23(30)19-10-8-18(9-11-19)13-27-16(3)22(28(31)32)15(2)26-27/h5-12,14H,13H2,1-4H3,(H,24,30)(H,25,29)