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

Systemtic Name: 1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-methoxyphenyl)-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-(4-methoxyphenyl)prop-2-yn-1-one Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)Br)C3=NC=CC=N3

InChI

InChI=1S/C18H17BrN4O2/c1-25-15-6-3-14(4-7-15)5-8-17(24)22-11-12-23(16(19)13-22)18-20-9-2-10-21-18/h2-4,6-7,9-10,16H,11-13H2,1H3