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

Systemtic Name: 1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propylphenyl)prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propylphenyl)prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-propylphenyl)-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-propylphenyl)prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-(4-propylphenyl)prop-2-yn-1-one Formula: C20H21BrN4O MolecularWeight: 413.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C20H21BrN4O/c1-2-4-16-5-7-17(8-6-16)9-10-19(26)24-13-14-25(18(21)15-24)20-22-11-3-12-23-20/h3,5-8,11-12,18H,2,4,13-15H2,1H3