1-cyano-3-(6-fluoranyl-2-methyl-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(6-fluoranyl-2-methyl-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(6-fluoro-2-methyl-benzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(6-fluoro-2-methyl-5-benzofuranyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(6-fluoro-2-methyl-1-benzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-3-(6-fluoro-2-methyl-benzofuran-5-yl)-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C23H27FN6O3 MolecularWeight: 454.497283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2O1)F)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC1=CC2=CC(=C(C=C2O1)F)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C23H27FN6O3/c1-15-10-16-11-19(17(24)12-20(16)33-15)28-23(26-14-25)27-18-6-2-3-9-30(22(18)32)13-21(31)29-7-4-5-8-29/h10-12,18H,2-9,13H2,1H3,(H2,26,27,28)/t18-/m0/s1