5-bromanyl-8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C23H18BrClN6O3 MolecularWeight: 541.78442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrClN6O3/c24-18-6-7-19(20-17(18)5-2-8-26-20)34-23-21(31(32)33)22(27-14-28-23)30-11-9-29(10-12-30)16-4-1-3-15(25)13-16/h1-8,13-14H,9-12H2