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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopentylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclopentyl(oxo)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclopentanecarbonylamino)benzyl]-piperonylamide Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H32ClN3O4/c28-23-11-8-21(30-26(32)17-3-1-2-4-17)13-19(23)15-31(22-9-6-20(29)7-10-22)27(33)18-5-12-24-25(14-18)35-16-34-24/h5,8,11-14,17,20,22H,1-4,6-7,9-10,15-16,29H2,(H,30,32)