(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)-(4-pyrazin-2-ylpiperazino)methanone Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O3/c1-24-13-9-11(8-12(17)15(13)22)16(23)21-6-4-20(5-7-21)14-10-18-2-3-19-14/h2-3,8-10,22H,4-7H2,1H3