[4-(3-chlorophenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[3-(2-pyrimidylamino)phenyl]methanone Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C21H20ClN5O/c22-17-5-2-7-19(15-17)26-10-12-27(13-11-26)20(28)16-4-1-6-18(14-16)25-21-23-8-3-9-24-21/h1-9,14-15H,10-13H2,(H,23,24,25)