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

Systemtic Name: 4-carbamimidoyl-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: 4-carbamimidoyl-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-benzamide CAS Name: 4-carbamimidoyl-N-[2-[(4-ethynylanilino)-oxomethyl]-4-methoxyphenyl]-2-fluorobenzamide IUPAC Name: 4-carbamimidoyl-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-2-fluorobenzamide Traditional Name: 4-amidino-N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxy-phenyl]-2-fluoro-benzamide Formula: C24H19FN4O3 MolecularWeight: 430.431063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3=CC=C(C=C3)C#C

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3=CC=C(C=C3)C#C

InChI

InChI=1S/C24H19FN4O3/c1-3-14-4-7-16(8-5-14)28-24(31)19-13-17(32-2)9-11-21(19)29-23(30)18-10-6-15(22(26)27)12-20(18)25/h1,4-13H,2H3,(H3,26,27)(H,28,31)(H,29,30)