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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CCC(CC5)N

InChI

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