3-phenyl-3-[5-(4-pyrazin-2-ylpiperazin-1-yl)carbonylbenzimidazol-1-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[5-(4-pyrazin-2-ylpiperazin-1-yl)carbonylbenzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[oxo-[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[5-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-phenyl-3-[5-(4-pyrazin-2-ylpiperazine-1-carbonyl)benzimidazol-1-yl]propionic acid Formula: C25H24N6O3 MolecularWeight: 456.49646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC4=C(C=C3)N(C=N4)C(CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O3/c32-24(33)15-22(18-4-2-1-3-5-18)31-17-28-20-14-19(6-7-21(20)31)25(34)30-12-10-29(11-13-30)23-16-26-8-9-27-23/h1-9,14,16-17,22H,10-13,15H2,(H,32,33)