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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCC(CC5)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCC(CC5)N

InChI

InChI=1S/C25H29N3O4/c26-19-6-10-21(11-7-19)28(25(30)17-3-4-17)14-16-1-8-20(9-2-16)27-24(29)18-5-12-22-23(13-18)32-15-31-22/h1-2,5,8-9,12-13,17,19,21H,3-4,6-7,10-11,14-15,26H2,(H,27,29)