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

Systemtic Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-azanylpropyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(3-acetamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-acetamido-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(3-acetamido-4-pyrrolidin-1-ylphenyl)phenyl]methyl]-N-(3-aminopropyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(3-acetamido-4-pyrrolidino-phenyl)benzyl]-N-(3-aminopropyl)-piperonylamide Formula: C30H34N4O4 MolecularWeight: 514.61536

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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)N5CCCC5

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC(=CC=C2)CN(CCCN)C(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C30H34N4O4/c1-21(35)32-26-17-24(8-10-27(26)33-13-2-3-14-33)23-7-4-6-22(16-23)19-34(15-5-12-31)30(36)25-9-11-28-29(18-25)38-20-37-28/h4,6-11,16-18H,2-3,5,12-15,19-20,31H2,1H3,(H,32,35)