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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CCC(CC5)N

Isomeric SMILES

C1CC1C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C5CCC(CC5)N

InChI

InChI=1S/C25H28ClN3O4/c26-21-9-6-19(28-24(30)16-3-10-22-23(12-16)33-14-32-22)11-17(21)13-29(25(31)15-1-2-15)20-7-4-18(27)5-8-20/h3,6,9-12,15,18,20H,1-2,4-5,7-8,13-14,27H2,(H,28,30)