N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H20N6O3 MolecularWeight: 356.3791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c24-17(13-8-4-3-5-9-13)21-20-15-14(23(25)26)16(19-12-18-15)22-10-6-1-2-7-11-22/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,21,24)(H,18,19,20)