N-[3-(2,4-dimethylphenyl)propyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[3-(2,4-dimethylphenyl)propyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[3-(2,4-dimethylphenyl)propyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[3-(2,4-dimethylphenyl)propyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-4-pyrazol-1-yl-benzamide Formula: C21H23N3O MolecularWeight: 333.42682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC=C(C=C2)N3C=CC=N3)C

InChI

InChI=1S/C21H23N3O/c1-16-6-7-18(17(2)15-16)5-3-12-22-21(25)19-8-10-20(11-9-19)24-14-4-13-23-24/h4,6-11,13-15H,3,5,12H2,1-2H3,(H,22,25)