N-(5-bromanylpyridin-2-yl)-2-[(4-carbamimidoylphenyl)carbonylamino]-5-chloranyl-3-methoxy-benzamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(4-carbamimidoylphenyl)carbonylamino]-5-chloranyl-3-methoxy-benzamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methoxy-benzamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-chloro-3-methoxybenzamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methoxybenzamide Traditional Name: 2-[(4-amidinobenzoyl)amino]-N-(5-bromo-2-pyridyl)-5-chloro-3-methoxy-benzamide Formula: C21H17BrClN5O3 MolecularWeight: 502.74838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C(=O)NC2=NC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H17BrClN5O3/c1-31-16-9-14(23)8-15(21(30)27-17-7-6-13(22)10-26-17)18(16)28-20(29)12-4-2-11(3-5-12)19(24)25/h2-10H,1H3,(H3,24,25)(H,28,29)(H,26,27,30)