1-(3-bromophenyl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(3-bromophenyl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(3-bromophenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(3-bromophenyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(3-bromophenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(3-bromophenyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C20H25BrN6O2 MolecularWeight: 461.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN6O2/c21-15-6-5-7-16(12-15)24-20(23-14-22)25-17-8-1-2-11-27(19(17)29)13-18(28)26-9-3-4-10-26/h5-7,12,17H,1-4,8-11,13H2,(H2,23,24,25)