3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H21N3O4/c1-26-18-7-6-16(22(24)25)12-17(18)20-19(23)9-11-21-10-8-14-4-2-3-5-15(14)13-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)