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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-piperonylamide Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5CC5

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5CC5

InChI

InChI=1S/C25H28ClN3O4/c26-19-9-8-18(28-24(30)16-7-10-22-23(12-16)33-14-32-22)11-17(19)13-29(25(31)15-5-6-15)21-4-2-1-3-20(21)27/h7-12,15,20-21H,1-6,13-14,27H2,(H,28,30)