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

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-acetamidobenzyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-14-21(27(30)31)15(2)26(25-14)13-18-4-8-19(9-5-18)22(29)23-12-17-6-10-20(11-7-17)24-16(3)28/h4-11H,12-13H2,1-3H3,(H,23,29)(H,24,28)