2-[3-(3-aminophenyl)-4-chloranyl-6-cyclopentylimino-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoyl-2-fluoranyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-aminophenyl)-4-chloranyl-6-cyclopentylimino-1-oxidanyl-pyridin-2-yl]-N-[(4-carbamimidoyl-2-fluoranyl-phenyl)methyl]ethanamide Openeye Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclopentylimino-1-hydroxy-2-pyridyl]-N-[(4-carbamimidoyl-2-fluoro-phenyl)methyl]acetamide CAS Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclopentylimino-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoyl-2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-(3-aminophenyl)-4-chloro-6-cyclopentylimino-1-hydroxypyridin-2-yl]-N-[(4-carbamimidoyl-2-fluorophenyl)methyl]acetamide Traditional Name: N-(4-amidino-2-fluoro-benzyl)-2-[3-(3-aminophenyl)-4-chloro-6-cyclopentylimino-1-hydroxy-2-pyridyl]acetamide Formula: C26H28ClFN6O2 MolecularWeight: 510.990923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C2C=C(C(=C(N2O)CC(=O)NCC3=C(C=C(C=C3)C(=N)N)F)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1CCC(C1)N=C2C=C(C(=C(N2O)CC(=O)NCC3=C(C=C(C=C3)C(=N)N)F)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C26H28ClFN6O2/c27-20-12-23(33-19-6-1-2-7-19)34(36)22(25(20)15-4-3-5-18(29)10-15)13-24(35)32-14-17-9-8-16(26(30)31)11-21(17)28/h3-5,8-12,19,36H,1-2,6-7,13-14,29H2,(H3,30,31)(H,32,35)