1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Systemtic Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O2/c30-29(31)20-21(27-14-12-26(13-15-27)19-9-3-4-10-23-19)24-16-25-22(20)28-11-5-7-17-6-1-2-8-18(17)28/h1-4,6,8-10,16H,5,7,11-15H2