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

Systemtic Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C19H17N7O3 MolecularWeight: 391.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O3/c27-19(14-5-8-20-9-6-14)24-23-17-16(26(28)29)18(22-12-21-17)25-10-7-13-3-1-2-4-15(13)11-25/h1-6,8-9,12H,7,10-11H2,(H,24,27)(H,21,22,23)