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

Systemtic Name: 3-[4-[bis(chloranyl)methyl]phenyl]-1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(dichloromethyl)phenyl]prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(dichloromethyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(dichloromethyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-[4-(dichloromethyl)phenyl]prop-2-yn-1-one Formula: C18H15BrCl2N4O MolecularWeight: 454.1479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(Cl)Cl)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(Cl)Cl)Br)C3=NC=CC=N3

InChI

InChI=1S/C18H15BrCl2N4O/c19-15-12-24(10-11-25(15)18-22-8-1-9-23-18)16(26)7-4-13-2-5-14(6-3-13)17(20)21/h1-3,5-6,8-9,15,17H,10-12H2