[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]-morpholino-methanone CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]-morpholino-methanone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C20H21N3O4/c24-20(21-9-11-27-12-10-21)18-13-17(23(25)26)5-6-19(18)22-8-7-15-3-1-2-4-16(15)14-22/h1-6,13H,7-12,14H2