N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C28H31N3O7 MolecularWeight: 521.56164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O7/c1-35-24-13-19-10-12-30(17-20(19)14-25(24)36-2)11-9-18-5-7-21(8-6-18)29-28(32)22-15-26(37-3)27(38-4)16-23(22)31(33)34/h5-8,13-16H,9-12,17H2,1-4H3,(H,29,32)