N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NNC(=O)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NNC(=O)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c28-18(13-31-17-8-2-1-3-9-17)24-25-20-19(27(29)30)21(23-14-22-20)26-11-10-15-6-4-5-7-16(15)12-26/h1-9,14H,10-13H2,(H,24,28)(H,22,23,25)