N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C24H18ClN3O3 MolecularWeight: 431.87102

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H18ClN3O3/c25-18-8-6-16(7-9-18)24-17(14-28(27-24)20-4-2-1-3-5-20)12-23(29)26-19-10-11-21-22(13-19)31-15-30-21/h1-11,13-14H,12,15H2,(H,26,29)