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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

InChI

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