1-[4-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-(4-anilinopyrimidin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[1-(4-anilino-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[1-(4-anilinopyrimidin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-(4-anilinopyrimidin-2-yl)isonipecotoyl]piperazino]ethanone Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c1-17(29)26-13-15-27(16-14-26)21(30)18-8-11-28(12-9-18)22-23-10-7-20(25-22)24-19-5-3-2-4-6-19/h2-7,10,18H,8-9,11-16H2,1H3,(H,23,24,25)