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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

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