N-[2-[(5-bromanylpyridin-2-yl)carbamoyl]phenyl]-4-carbamimidoyl-2-fluoranyl-benzamide

Systemtic Name: N-[2-[(5-bromanylpyridin-2-yl)carbamoyl]phenyl]-4-carbamimidoyl-2-fluoranyl-benzamide Openeye Name: N-[2-[(5-bromo-2-pyridyl)carbamoyl]phenyl]-4-carbamimidoyl-2-fluoro-benzamide CAS Name: N-[2-[[(5-bromo-2-pyridinyl)amino]-oxomethyl]phenyl]-4-carbamimidoyl-2-fluorobenzamide IUPAC Name: N-[2-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-carbamimidoyl-2-fluorobenzamide Traditional Name: 4-amidino-N-[2-[(5-bromo-2-pyridyl)carbamoyl]phenyl]-2-fluoro-benzamide Formula: C20H15BrFN5O2 MolecularWeight: 456.267803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=C(C=C(C=C3)C(=N)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=C(C=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H15BrFN5O2/c21-12-6-8-17(25-10-12)27-20(29)14-3-1-2-4-16(14)26-19(28)13-7-5-11(18(23)24)9-15(13)22/h1-10H,(H3,23,24)(H,26,28)(H,25,27,29)