1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)propan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)propan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-nitroanilino)propan-1-one Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5/c1-27-18-11-14-8-10-22(13-15(14)12-19(18)28-2)20(24)7-9-21-16-5-3-4-6-17(16)23(25)26/h3-6,11-12,21H,7-10,13H2,1-2H3