N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-5-nitro-2-furamide Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C20H19N3O4S/c24-20(18-5-6-19(27-18)23(25)26)21-11-17(16-8-10-28-13-16)22-9-7-14-3-1-2-4-15(14)12-22/h1-6,8,10,13,17H,7,9,11-12H2,(H,21,24)