8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromanyl-quinoline

Systemtic Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromanyl-quinoline Openeye Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 8-[[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]oxy]-5-bromoquinoline IUPAC Name: 8-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O3/c20-14-7-8-15(16-13(14)6-5-9-21-16)28-19-17(25(26)27)18(22-12-23-19)24-10-3-1-2-4-11-24/h5-9,12H,1-4,10-11H2