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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclohexanecarbonylamino)benzyl]-piperonylamide Formula: C28H34ClN3O4 MolecularWeight: 512.04026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H34ClN3O4/c29-24-12-9-22(31-27(33)18-4-2-1-3-5-18)14-20(24)16-32(23-10-7-21(30)8-11-23)28(34)19-6-13-25-26(15-19)36-17-35-25/h6,9,12-15,18,21,23H,1-5,7-8,10-11,16-17,30H2,(H,31,33)