sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethyl-amino]butoxy]ethanoate

Systemtic Name: sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethyl-amino]butoxy]ethanoate Openeye Name: sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethyl-amino]butoxy]acetate CAS Name: sodium 2-[4-[(5,6-diphenyl-2-pyrazinyl)-ethylamino]butoxy]acetate IUPAC Name: sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethylamino]butoxy]acetate Traditional Name: sodium 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethyl-amino]butoxy]acetate Formula: C24H26N3NaO3 MolecularWeight: 427.47131

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOCC(=O)[O-])C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCN(CCCCOCC(=O)[O-])C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H27N3O3.Na/c1-2-27(15-9-10-16-30-18-22(28)29)21-17-25-23(19-11-5-3-6-12-19)24(26-21)20-13-7-4-8-14-20;/h3-8,11-14,17H,2,9-10,15-16,18H2,1H3,(H,28,29);/q;+1/p-1