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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(2-phenoxyethanoylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[(2-phenoxyacetyl)amino]benzyl]-piperonylamide Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O5/c30-22-10-12-24(13-11-22)32(29(34)21-9-14-26-27(16-21)37-19-36-26)17-20-5-4-6-23(15-20)31-28(33)18-35-25-7-2-1-3-8-25/h1-9,14-16,22,24H,10-13,17-19,30H2,(H,31,33)