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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-15(27)26(20-5-3-2-4-19(20)24)13-16-6-9-18(10-7-16)25-23(28)17-8-11-21-22(12-17)30-14-29-21/h6-12,19-20H,2-5,13-14,24H2,1H3,(H,25,28)