2-[1,3-benzodioxol-5-ylmethyl(2-chloranylethanoyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-chloranylethanoyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloro-1-oxoethyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide Traditional Name: 2-[(2-chloroacetyl)-piperonyl-amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide Formula: C25H28ClFN2O4 MolecularWeight: 474.952223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC4=C(C=C3)OCO4)C(=O)CCl

Isomeric SMILES

C1CCCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC4=C(C=C3)OCO4)C(=O)CCl

InChI

InChI=1S/C25H28ClFN2O4/c26-14-23(30)29(15-17-7-12-21-22(13-17)33-16-32-21)24(18-8-10-19(27)11-9-18)25(31)28-20-5-3-1-2-4-6-20/h7-13,20,24H,1-6,14-16H2,(H,28,31)