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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitropyrazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitropyrazol-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-nitropyrazol-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(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

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