1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c19-14(9-16-8-13(15-10-16)18(20)21)17-6-5-11-3-1-2-4-12(11)7-17/h1-4,8,10H,5-7,9H2