2-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(pyrimidin-2-ylamino)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(pyrimidin-2-ylamino)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(2-pyrimidylamino)benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C21H26N6O2/c28-19(26-9-1-2-10-26)16-25-11-13-27(14-12-25)20(29)17-5-3-6-18(15-17)24-21-22-7-4-8-23-21/h3-8,15H,1-2,9-14,16H2,(H,22,23,24)