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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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