1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]-2-(4-nitrophenyl)ethanone 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)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c1-17-6-8-25(9-7-17)20-15-21(24-16-23-20)26-10-12-27(13-11-26)22(29)14-18-2-4-19(5-3-18)28(30)31/h2-5,15-17H,6-14H2,1H3