1-[4-(3-azanylazetidin-1-yl)carbonyl-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-2-yl]ethanone

Systemtic Name: 1-[4-(3-azanylazetidin-1-yl)carbonyl-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-2-yl]ethanone Openeye Name: 1-[4-(3-aminoazetidine-1-carbonyl)-5-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrol-2-yl]ethanone CAS Name: 1-[4-[(3-amino-1-azetidinyl)-oxomethyl]-5-(2-fluoro-4-iodoanilino)-1-methyl-2-pyrrolyl]ethanone IUPAC Name: 1-[4-(3-aminoazetidine-1-carbonyl)-5-(2-fluoro-4-iodoanilino)-1-methylpyrrol-2-yl]ethanone Traditional Name: 1-[4-(3-aminoazetidine-1-carbonyl)-5-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrol-2-yl]ethanone Formula: C17H18FIN4O2 MolecularWeight: 456.253293

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CC(C3)N

Isomeric SMILES

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CC(C3)N

InChI

InChI=1S/C17H18FIN4O2/c1-9(24)15-6-12(17(25)23-7-11(20)8-23)16(22(15)2)21-14-4-3-10(19)5-13(14)18/h3-6,11,21H,7-8,20H2,1-2H3