4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide CAS Name: 4-methyl-3-nitro-N-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]phenyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=C(N(N=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=C(N(N=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-13-5-8-17(12-20(13)25(27)28)21(26)22-18-9-6-16(7-10-18)11-19-14(2)23-24(4)15(19)3/h5-10,12H,11H2,1-4H3,(H,22,26)