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

Systemtic Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide Openeye Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide CAS Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide Traditional Name: N'-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]nicotinohydrazide 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=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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