2-(6-bromanyl-2-methoxy-naphthalen-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-bromanyl-2-methoxy-naphthalen-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-bromo-2-methoxy-1-naphthyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(6-bromo-2-methoxy-1-naphthalenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-bromo-2-methoxynaphthalen-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6-bromo-2-methoxy-1-naphthyl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H21BrN4O2/c1-28-19-6-3-15-13-16(22)4-5-17(15)18(19)14-20(27)25-9-11-26(12-10-25)21-23-7-2-8-24-21/h2-8,13H,9-12,14H2,1H3