1-(5-bromanyl-2-methoxy-phenyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(5-bromo-2-methoxyphenyl)-4-[4-(2-pyrazinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-4-(4-pyrazin-2-ylpiperazino)butane-1,4-dione Formula: C19H21BrN4O3 MolecularWeight: 433.29904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C19H21BrN4O3/c1-27-17-4-2-14(20)12-15(17)16(25)3-5-19(26)24-10-8-23(9-11-24)18-13-21-6-7-22-18/h2,4,6-7,12-13H,3,5,8-11H2,1H3