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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(4-bromo-2-methylphenyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C21H27BrN6O2 MolecularWeight: 475.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

InChI

InChI=1S/C21H27BrN6O2/c1-15-12-16(22)7-8-17(15)25-21(24-14-23)26-18-6-2-3-11-28(20(18)30)13-19(29)27-9-4-5-10-27/h7-8,12,18H,2-6,9-11,13H2,1H3,(H2,24,25,26)