2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-N-(3-methoxyphenyl)-5-nitro-benzamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-N-(3-methoxyphenyl)-5-nitro-benzamide Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(3-methoxyphenyl)-5-nitro-benzamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-N-(3-methoxyphenyl)-5-nitrobenzamide IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(3-methoxyphenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(3-methoxyphenyl)-5-nitro-benzamide Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H24N4O5/c1-34-21-8-4-7-19(13-21)26-25(31)22-14-20(29(32)33)9-10-23(22)27-24(30)16-28-12-11-17-5-2-3-6-18(17)15-28/h2-10,13-14H,11-12,15-16H2,1H3,(H,26,31)(H,27,30)