N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-butyl-N-[2-[[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-piperonylamide Formula: C27H31ClN4O4 MolecularWeight: 511.01244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)Cl)C(C)(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H31ClN4O4/c1-5-6-13-31(26(34)18-7-12-21-22(14-18)36-17-35-21)16-25(33)29-24-15-23(27(2,3)4)30-32(24)20-10-8-19(28)9-11-20/h7-12,14-15H,5-6,13,16-17H2,1-4H3,(H,29,33)