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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c27-20-7-11-22(12-8-20)29(26(31)19-6-13-23-24(14-19)33-16-32-23)15-17-4-9-21(10-5-17)28-25(30)18-2-1-3-18/h4-6,9-10,13-14,18,20,22H,1-3,7-8,11-12,15-16,27H2,(H,28,30)