[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[3-ethoxy-4-(4-pyridylmethoxy)phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[3-ethoxy-4-(4-pyridylmethoxy)phenyl]methanone Formula: C23H24BrN5O3 MolecularWeight: 498.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OCC4=CC=NC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OCC4=CC=NC=C4

InChI

InChI=1S/C23H24BrN5O3/c1-2-31-21-13-18(3-4-20(21)32-16-17-5-7-25-8-6-17)22(30)28-9-11-29(12-10-28)23-26-14-19(24)15-27-23/h3-8,13-15H,2,9-12,16H2,1H3