4-fluoranyl-3-[2-(2-methyl-4-pyridin-2-ylcarbonyl-piperazin-1-yl)-2-oxidanylidene-ethanoyl]-1-oxidanyl-indole-7-carboximidamide

Systemtic Name: 4-fluoranyl-3-[2-(2-methyl-4-pyridin-2-ylcarbonyl-piperazin-1-yl)-2-oxidanylidene-ethanoyl]-1-oxidanyl-indole-7-carboximidamide Openeye Name: 4-fluoro-1-hydroxy-3-[2-[2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-oxo-acetyl]indole-7-carboxamidine CAS Name: 4-fluoro-1-hydroxy-3-[2-[2-methyl-4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-1,2-dioxoethyl]-7-indolecarboximidamide IUPAC Name: 4-fluoro-1-hydroxy-3-[2-[2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetyl]indole-7-carboximidamide Traditional Name: 4-fluoro-1-hydroxy-3-[2-keto-2-(2-methyl-4-picolinoyl-piperazino)acetyl]indole-7-carboxamidine Formula: C22H21FN6O4 MolecularWeight: 452.438343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CN(C3=C(C=CC(=C23)F)C(=N)N)O)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC1CN(CCN1C(=O)C(=O)C2=CN(C3=C(C=CC(=C23)F)C(=N)N)O)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H21FN6O4/c1-12-10-27(21(31)16-4-2-3-7-26-16)8-9-28(12)22(32)19(30)14-11-29(33)18-13(20(24)25)5-6-15(23)17(14)18/h2-7,11-12,33H,8-10H2,1H3,(H3,24,25)