N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitro-benzamide

Systemtic Name: N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitro-benzamide Openeye Name: N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitro-benzamide CAS Name: N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitrobenzamide Traditional Name: N-[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitro-benzamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C26H27N3O5/c1-33-24-15-19-11-13-28(17-20(19)16-25(24)34-2)12-10-18-6-5-7-21(14-18)27-26(30)22-8-3-4-9-23(22)29(31)32/h3-9,14-16H,10-13,17H2,1-2H3,(H,27,30)