2-chloranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-quinolyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinolinyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-methyl-2-[4-(2-pyrimidyl)piperazino]-6-quinolyl]-4-nitro-benzamide Formula: C25H22ClN7O3 MolecularWeight: 503.94028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H22ClN7O3/c1-16-13-23(31-9-11-32(12-10-31)25-27-7-2-8-28-25)30-22-6-3-17(14-20(16)22)29-24(34)19-5-4-18(33(35)36)15-21(19)26/h2-8,13-15H,9-12H2,1H3,(H,29,34)