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

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-phenyl]-2-nitro-benzamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-phenyl]-2-nitro-benzamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenyl]-2-nitrobenzamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenyl]-2-nitrobenzamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxy-phenyl]-2-nitro-benzamide Formula: C27H29N3O6 MolecularWeight: 491.53566

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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=CC=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O6/c1-34-24-14-18(8-9-22(24)28-27(31)21-6-4-5-7-23(21)30(32)33)10-12-29-13-11-19-15-25(35-2)26(36-3)16-20(19)17-29/h4-9,14-16H,10-13,17H2,1-3H3,(H,28,31)