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

Systemtic Name: 5-bromanyl-8-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]oxy-quinoline Openeye Name: 8-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 5-bromo-8-[[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 8-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline Formula: C25H22BrN5O3 MolecularWeight: 520.37788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H22BrN5O3/c26-20-8-9-21(22-19(20)7-4-12-27-22)34-25-23(31(32)33)24(28-16-29-25)30-13-10-18(11-14-30)15-17-5-2-1-3-6-17/h1-9,12,16,18H,10-11,13-15H2