N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c25-15(12-28-14-8-4-3-5-9-14)21-22-17-16(24(26)27)18(20-13-19-17)23-10-6-1-2-7-11-23/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,21,25)(H,19,20,22)