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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-piperonylamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5CC5

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5CC5

InChI

InChI=1S/C25H29N3O4/c26-20-3-1-2-4-21(20)28(25(30)17-7-8-17)14-16-5-10-19(11-6-16)27-24(29)18-9-12-22-23(13-18)32-15-31-22/h5-6,9-13,17,20-21H,1-4,7-8,14-15,26H2,(H,27,29)