(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitro-phenyl]methanone

Systemtic Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(methylamino)-5-nitro-phenyl]methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC)OCC

InChI

InChI=1S/C21H25N3O5/c1-4-28-19-10-14-8-9-23(13-15(14)11-20(19)29-5-2)21(25)17-12-16(24(26)27)6-7-18(17)22-3/h6-7,10-12,22H,4-5,8-9,13H2,1-3H3