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

Systemtic Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O3/c27-20(15-7-2-1-3-8-15)24-23-18-17(26(28)29)19(22-13-21-18)25-11-10-14-6-4-5-9-16(14)12-25/h1-9,13H,10-12H2,(H,24,27)(H,21,22,23)