[8-[4-[[5-(4-cyano-3-fluoranyl-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]carbonyl]-2-oxidanylidene-piperazin-1-yl]naphthalen-2-yl] methanesulfonate

Systemtic Name: [8-[4-[[5-(4-cyano-3-fluoranyl-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]carbonyl]-2-oxidanylidene-piperazin-1-yl]naphthalen-2-yl] methanesulfonate Openeye Name: [8-[4-[5-(4-cyano-3-fluoro-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbonyl]-2-oxo-piperazin-1-yl]-2-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [8-[4-[[5-(4-cyano-3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-oxomethyl]-2-oxo-1-piperazinyl]-2-naphthalenyl] ester IUPAC Name: [8-[4-[5-(4-cyano-3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbonyl]-2-oxopiperazin-1-yl]naphthalen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [8-[4-[5-(4-cyano-3-fluoro-phenyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazole-3-carbonyl]-2-keto-piperazino]-2-naphthyl] ester Formula: C29H24FN5O5S MolecularWeight: 573.594763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=CC=C2N3CCN(CC3=O)C(=O)C4=CN=C5N4C(CC5)C6=CC(=C(C=C6)C#N)F)C=C1

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=CC=C2N3CCN(CC3=O)C(=O)C4=CN=C5N4C(CC5)C6=CC(=C(C=C6)C#N)F)C=C1

InChI

InChI=1S/C29H24FN5O5S/c1-41(38,39)40-21-8-7-18-3-2-4-25(22(18)14-21)34-12-11-33(17-28(34)36)29(37)26-16-32-27-10-9-24(35(26)27)19-5-6-20(15-31)23(30)13-19/h2-8,13-14,16,24H,9-12,17H2,1H3