ethanedioate; N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(pyrazin-2-ylmethyl)benzimidazol-2-amine

Systemtic Name: ethanedioate; N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(pyrazin-2-ylmethyl)benzimidazol-2-amine Openeye Name: N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(pyrazin-2-ylmethyl)benzimidazol-2-amine; oxalate CAS Name: N-[1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidinyl]-1-(2-pyrazinylmethyl)-2-benzimidazolamine; oxalate IUPAC Name: N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(pyrazin-2-ylmethyl)benzimidazol-2-amine; oxalate Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-[1-(pyrazin-2-ylmethyl)benzimidazol-2-yl]amine; oxalate Formula: C29H28N6O9-4 MolecularWeight: 604.56742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCC(C2)NC3=NC4=CC=CC=C4N3CC5=NC=CN=C5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC(C2)NC3=NC4=CC=CC=C4N3CC5=NC=CN=C5.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C25H28N6O.2C2H2O4/c1-32-22-8-6-19(7-9-22)10-14-30-15-11-20(17-30)28-25-29-23-4-2-3-5-24(23)31(25)18-21-16-26-12-13-27-21;2*3-1(4)2(5)6/h2-9,12-13,16,20H,10-11,14-15,17-18H2,1H3,(H,28,29);2*(H,3,4)(H,5,6)/p-4