N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-piperonylamide Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)C4CCCCC4N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)C4CCCCC4N

InChI

InChI=1S/C23H26ClN3O4/c1-14(28)27(20-5-3-2-4-19(20)25)12-16-10-17(7-8-18(16)24)26-23(29)15-6-9-21-22(11-15)31-13-30-21/h6-11,19-20H,2-5,12-13,25H2,1H3,(H,26,29)