N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-piperonylamide Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H27ClN4O4/c1-2-3-15-33(29(36)21-13-14-25-26(16-21)38-19-37-25)18-28(35)31-27-17-23(20-9-5-4-6-10-20)32-34(27)24-12-8-7-11-22(24)30/h4-14,16-17H,2-3,15,18-19H2,1H3,(H,31,35)