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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

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