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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-methyl-4-nitro-benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c1-12-10-16(6-9-18(12)25(27)28)20(26)22-19-13(2)23-24(14(19)3)11-15-4-7-17(21)8-5-15/h4-10H,11H2,1-3H3,(H,22,26)