1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)azepane

Systemtic Name: 1-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)azepane Openeye Name: 1-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)azepane Traditional Name: 1-[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]azepane Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c25-24(26)18-19(23-11-5-1-2-6-12-23)21-14-22-20(18)27-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,1-2,5-6,11-12H2