8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyquinoline

Systemtic Name: 8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyquinoline Openeye Name: 8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyquinoline CAS Name: 8-[[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 8-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxyquinoline Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H24N6O3/c1-17-6-3-9-20(18(17)2)29-12-14-30(15-13-29)24-23(31(32)33)25(28-16-27-24)34-21-10-4-7-19-8-5-11-26-22(19)21/h3-11,16H,12-15H2,1-2H3