3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzamide

Systemtic Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzamide Openeye Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzamide CAS Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-4-pyrazolyl]benzamide IUPAC Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethylpyrazol-4-yl]benzamide Traditional Name: 3-[1-[4-(2-chloroethyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]benzamide Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)CCCl)C)C3=CC(=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)CCCl)C)C3=CC(=CC=C3)C(=O)N

InChI

InChI=1S/C20H20ClN3O/c1-13-19(16-4-3-5-17(12-16)20(22)25)14(2)24(23-13)18-8-6-15(7-9-18)10-11-21/h3-9,12H,10-11H2,1-2H3,(H2,22,25)