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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclobutylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclobutanecarbonylamino)benzyl]-piperonylamide Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30ClN3O4/c27-22-10-7-20(29-25(31)16-2-1-3-16)12-18(22)14-30(21-8-5-19(28)6-9-21)26(32)17-4-11-23-24(13-17)34-15-33-23/h4,7,10-13,16,19,21H,1-3,5-6,8-9,14-15,28H2,(H,29,31)