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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(cyclopentylcarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[cyclopentyl(oxo)methyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-(cyclopentanecarbonylamino)benzyl]-piperonylamide Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4/c28-21-9-11-23(12-10-21)30(27(32)20-8-13-24-25(15-20)34-17-33-24)16-18-4-3-7-22(14-18)29-26(31)19-5-1-2-6-19/h3-4,7-8,13-15,19,21,23H,1-2,5-6,9-12,16-17,28H2,(H,29,31)