1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-methylphenyl)prop-2-yn-1-one

Systemtic Name: 1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-methylphenyl)prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-(p-tolyl)prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-methylphenyl)-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-methylphenyl)prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-(p-tolyl)prop-2-yn-1-one Formula: C18H17BrN4O MolecularWeight: 385.25778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C18H17BrN4O/c1-14-3-5-15(6-4-14)7-8-17(24)22-11-12-23(16(19)13-22)18-20-9-2-10-21-18/h2-6,9-10,16H,11-13H2,1H3