N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methyl-3-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)N3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)N3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

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