5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenyl-furan-2-carboxamide

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenyl-furan-2-carboxamide Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenyl-furan-2-carboxamide CAS Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenyl-2-furancarboxamide IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenylfuran-2-carboxamide Traditional Name: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-phenylprop-2-ynylamino)butyl]-N-phenyl-2-furamide Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)NCC#CC5=CC=CC=C5

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)NCC#CC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O4/c1-22(32-18-8-11-23-9-4-2-5-10-23)27(24-14-16-28-30(19-24)36-21-35-28)20-26-15-17-29(37-26)31(34)33-25-12-6-3-7-13-25/h2-7,9-10,12-17,19,22,27,32H,18,20-21H2,1H3,(H,33,34)