4-(N,N-dimethylcarbamimidoyl)-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: 4-(N,N-dimethylcarbamimidoyl)-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: 4-(N,N-dimethylcarbamimidoyl)-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-benzamide CAS Name: 4-[dimethylamino(imino)methyl]-N-[2-[(4-ethynylanilino)-oxomethyl]-4-methoxyphenyl]-2-fluorobenzamide IUPAC Name: 4-(N,N-dimethylcarbamimidoyl)-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-2-fluorobenzamide Traditional Name: 4-(N,N-dimethylamidino)-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-benzamide Formula: C26H23FN4O3 MolecularWeight: 458.484223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C#C)F

Isomeric SMILES

CN(C)C(=N)C1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C#C)F

InChI

InChI=1S/C26H23FN4O3/c1-5-16-6-9-18(10-7-16)29-26(33)21-15-19(34-4)11-13-23(21)30-25(32)20-12-8-17(14-22(20)27)24(28)31(2)3/h1,6-15,28H,2-4H3,(H,29,33)(H,30,32)