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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-phenethyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-phenethyl-piperonylamide Formula: C31H31ClN4O4 MolecularWeight: 559.05524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5Cl

InChI

InChI=1S/C31H31ClN4O4/c1-31(2,3)27-18-28(36(34-27)24-12-8-7-11-23(24)32)33-29(37)19-35(16-15-21-9-5-4-6-10-21)30(38)22-13-14-25-26(17-22)40-20-39-25/h4-14,17-18H,15-16,19-20H2,1-3H3,(H,33,37)