3-[4-[bis(chloranyl)methyl]phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-[4-[bis(chloranyl)methyl]phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-[4-(dichloromethyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-[4-(dichloromethyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-[4-(dichloromethyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-[4-(dichloromethyl)phenyl]-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C18H16Cl2N4O MolecularWeight: 375.25184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C#CC3=CC=C(C=C3)C(Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C#CC3=CC=C(C=C3)C(Cl)Cl

InChI

InChI=1S/C18H16Cl2N4O/c19-17(20)15-5-2-14(3-6-15)4-7-16(25)23-10-12-24(13-11-23)18-21-8-1-9-22-18/h1-3,5-6,8-9,17H,10-13H2