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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C5CCC(CC5)N

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C5CCC(CC5)N

InChI

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