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

Systemtic Name: N-[(2-acetamidophenyl)methyl]-N-(4-azanylcyclohexyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(2-acetamidobenzyl)-N-(4-aminocyclohexyl)-piperonylamide Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1CN(C2CCC(CC2)N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=CC=C1CN(C2CCC(CC2)N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4/c1-15(27)25-20-5-3-2-4-17(20)13-26(19-9-7-18(24)8-10-19)23(28)16-6-11-21-22(12-16)30-14-29-21/h2-6,11-12,18-19H,7-10,13-14,24H2,1H3,(H,25,27)