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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(2-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)C5CCCCC5N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CCCCC5N

InChI

InChI=1S/C28H34ClN3O4/c29-22-12-11-21(31-27(33)19-10-13-25-26(15-19)36-17-35-25)14-20(22)16-32(24-9-5-4-8-23(24)30)28(34)18-6-2-1-3-7-18/h10-15,18,23-24H,1-9,16-17,30H2,(H,31,33)