N-[4-chloranyl-2-[(4-ethynylphenyl)carbamoyl]phenyl]-4-(N-ethyl-N-methyl-carbamimidoyl)-2-fluoranyl-benzamide

Systemtic Name: N-[4-chloranyl-2-[(4-ethynylphenyl)carbamoyl]phenyl]-4-(N-ethyl-N-methyl-carbamimidoyl)-2-fluoranyl-benzamide Openeye Name: N-[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]-4-(N-ethyl-N-methyl-carbamimidoyl)-2-fluoro-benzamide CAS Name: N-[4-chloro-2-[(4-ethynylanilino)-oxomethyl]phenyl]-4-[[ethyl(methyl)amino]-iminomethyl]-2-fluorobenzamide IUPAC Name: N-[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]-4-(N-ethyl-N-methylcarbamimidoyl)-2-fluorobenzamide Traditional Name: N-[4-chloro-2-[(4-ethynylphenyl)carbamoyl]phenyl]-4-(N-ethyl-N-methyl-amidino)-2-fluoro-benzamide Formula: C26H22ClFN4O2 MolecularWeight: 476.929883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=N)C1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#C)F

Isomeric SMILES

CCN(C)C(=N)C1=CC(=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#C)F

InChI

InChI=1S/C26H22ClFN4O2/c1-4-16-6-10-19(11-7-16)30-26(34)21-15-18(27)9-13-23(21)31-25(33)20-12-8-17(14-22(20)28)24(29)32(3)5-2/h1,6-15,29H,5H2,2-3H3,(H,30,34)(H,31,33)