[4-[(4-chloranylphenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-chloranylphenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(4-chlorophenoxy)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-chlorophenoxy)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(4-chlorophenoxy)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2/c23-19-6-8-20(9-7-19)29-16-17-2-4-18(5-3-17)21(28)26-12-14-27(15-13-26)22-24-10-1-11-25-22/h1-11H,12-16H2