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

Systemtic Name: N-[[3-(3-acetamido-4-morpholin-4-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(3-acetamido-4-morpholino-phenyl)phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-acetamido-4-(4-morpholinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(3-acetamido-4-morpholin-4-ylphenyl)phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(3-acetamido-4-morpholino-phenyl)benzyl]-N-(3-aminopropyl)-piperonylamide Formula: C30H34N4O5 MolecularWeight: 530.61476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CC4=C(C=C3)OCO4)N5CCOCC5

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CC4=C(C=C3)OCO4)N5CCOCC5

InChI

InChI=1S/C30H34N4O5/c1-21(35)32-26-17-24(6-8-27(26)33-12-14-37-15-13-33)23-5-2-4-22(16-23)19-34(11-3-10-31)30(36)25-7-9-28-29(18-25)39-20-38-28/h2,4-9,16-18H,3,10-15,19-20,31H2,1H3,(H,32,35)