N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-methyl-3-nitro-benzamide Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CO4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5/c1-14-4-5-16(12-19(14)25(28)29)21(26)23-18-7-6-15-8-9-24(13-17(15)11-18)22(27)20-3-2-10-30-20/h2-7,10-12H,8-9,13H2,1H3,(H,23,26)