1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(3-chloro-4-fluorophenyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C20H24ClFN6O2 MolecularWeight: 434.894963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC(=C(C=C2)F)Cl)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC(=C(C=C2)F)Cl)CC(=O)N3CCCC3

InChI

InChI=1S/C20H24ClFN6O2/c21-15-11-14(6-7-16(15)22)25-20(24-13-23)26-17-5-1-2-10-28(19(17)30)12-18(29)27-8-3-4-9-27/h6-7,11,17H,1-5,8-10,12H2,(H2,24,25,26)