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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26ClN3O4/c1-14(28)26-18-5-8-20(24)16(10-18)12-27(19-6-3-17(25)4-7-19)23(29)15-2-9-21-22(11-15)31-13-30-21/h2,5,8-11,17,19H,3-4,6-7,12-13,25H2,1H3,(H,26,28)