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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-(cyclobutanecarbonylamino)benzyl]-piperonylamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O4/c27-20-8-10-22(11-9-20)29(26(31)19-7-12-23-24(14-19)33-16-32-23)15-17-3-1-6-21(13-17)28-25(30)18-4-2-5-18/h1,3,6-7,12-14,18,20,22H,2,4-5,8-11,15-16,27H2,(H,28,30)