[4-chloranyl-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-chloranyl-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-chloro-3-[2-(2-pyridyl)ethynyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-[2-(2-pyridinyl)ethynyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-chloro-3-(2-pyridin-2-ylethynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-chloro-3-[2-(2-pyridyl)ethynyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)C#CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)C#CC4=CC=CC=N4

InChI

InChI=1S/C22H18ClN5O/c23-20-8-6-18(16-17(20)5-7-19-4-1-2-9-24-19)21(29)27-12-14-28(15-13-27)22-25-10-3-11-26-22/h1-4,6,8-11,16H,12-15H2