N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide

Systemtic Name: N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide Openeye Name: N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide CAS Name: N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide IUPAC Name: N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide Traditional Name: N-[(1R,3R)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]benzamide Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2C(N1NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

C[C@@H]1CC2=CC(=C(C=C2[C@H](N1NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C25H25N3O5/c1-16-13-19-14-22(32-2)23(33-3)15-21(19)24(17-9-11-20(12-10-17)28(30)31)27(16)26-25(29)18-7-5-4-6-8-18/h4-12,14-16,24H,13H2,1-3H3,(H,26,29)/t16-,24-/m1/s1