ethyl 3-[[2-[[(5-cyanopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(5-cyanopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[[(5-cyanopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[[(5-cyano-2-pyrazinyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5-cyanopyrazin-2-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[[(5-cyanopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C25H24N8O3 MolecularWeight: 484.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(N=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(N=C4)C#N)C

InChI

InChI=1S/C25H24N8O3/c1-3-36-24(34)9-11-33(22-6-4-5-10-27-22)25(35)17-7-8-20-19(12-17)31-23(32(20)2)16-30-21-15-28-18(13-26)14-29-21/h4-8,10,12,14-15H,3,9,11,16H2,1-2H3,(H,29,30)