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

Systemtic Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c28-21(17-11-7-9-15-8-3-4-10-16(15)17)25-24-19-18(27(29)30)20(23-14-22-19)26-12-5-1-2-6-13-26/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,25,28)(H,22,23,24)