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

Systemtic Name: N-[5-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(4-morpholinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-piperonylamide Formula: C32H36N4O5 MolecularWeight: 556.65204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCN)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC1C(=O)N(CCCN)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H36N4O5/c33-11-2-12-36(32(38)23-5-6-23)20-22-3-1-4-24(17-22)25-7-9-28(35-13-15-39-16-14-35)27(18-25)34-31(37)26-8-10-29-30(19-26)41-21-40-29/h1,3-4,7-10,17-19,23H,2,5-6,11-16,20-21,33H2,(H,34,37)