1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[4-(4-chlorophenyl)-2-pyrimidinyl]amino]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazino]ethanone Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN5O2/c1-16(30)28-12-14-29(15-13-28)22(31)18-4-8-20(9-5-18)26-23-25-11-10-21(27-23)17-2-6-19(24)7-3-17/h2-11H,12-15H2,1H3,(H,25,26,27)