4-[5-azanyl-6-[6-[(3-fluorophenyl)carbonylamino]-1H-benzimidazol-2-yl]pyrazin-2-yl]benzoic acid

Systemtic Name: 4-[5-azanyl-6-[6-[(3-fluorophenyl)carbonylamino]-1H-benzimidazol-2-yl]pyrazin-2-yl]benzoic acid Openeye Name: 4-[5-amino-6-[6-[(3-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]pyrazin-2-yl]benzoic acid CAS Name: 4-[5-amino-6-[6-[[(3-fluorophenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]-2-pyrazinyl]benzoic acid IUPAC Name: 4-[5-amino-6-[6-[(3-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]pyrazin-2-yl]benzoic acid Traditional Name: 4-[5-amino-6-[6-[(3-fluorobenzoyl)amino]-1H-benzimidazol-2-yl]pyrazin-2-yl]benzoic acid Formula: C25H17FN6O3 MolecularWeight: 468.439283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=NC(=CN=C4N)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=NC(=CN=C4N)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H17FN6O3/c26-16-3-1-2-15(10-16)24(33)29-17-8-9-18-19(11-17)32-23(31-18)21-22(27)28-12-20(30-21)13-4-6-14(7-5-13)25(34)35/h1-12H,(H2,27,28)(H,29,33)(H,31,32)(H,34,35)