(4-methyl-3-nitro-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]methanone Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c1-16-5-7-25(8-6-16)20-14-21(24-15-23-20)26-9-11-27(12-10-26)22(29)18-4-3-17(2)19(13-18)28(30)31/h3-4,13-16H,5-12H2,1-2H3