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

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyl)phenyl]-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C21H24BrF3N6O2 MolecularWeight: 529.35347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrF3N6O2/c22-14-6-7-16(15(11-14)21(23,24)25)28-20(27-13-26)29-17-5-1-2-10-31(19(17)33)12-18(32)30-8-3-4-9-30/h6-7,11,17H,1-5,8-10,12H2,(H2,27,28,29)