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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-nitro-2-furamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC=C(O2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O4/c1-23-11-4-7-17(23)18(24-12-10-15-5-2-3-6-16(15)14-24)13-22-21(26)19-8-9-20(29-19)25(27)28/h2-9,11,18H,10,12-14H2,1H3,(H,22,26)