(3-bromanyl-5-methoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C19H23BrN4O3/c1-3-11-27-17-15(20)12-14(13-16(17)26-2)18(25)23-7-9-24(10-8-23)19-21-5-4-6-22-19/h4-6,12-13H,3,7-11H2,1-2H3