1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(2H-benzotriazol-5-yl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C20H25N9O2 MolecularWeight: 423.4716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=NNN=C3C=C2)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=NNN=C3C=C2)CC(=O)N4CCCC4

InChI

InChI=1S/C20H25N9O2/c21-13-22-20(23-14-6-7-15-17(11-14)26-27-25-15)24-16-5-1-2-10-29(19(16)31)12-18(30)28-8-3-4-9-28/h6-7,11,16H,1-5,8-10,12H2,(H2,22,23,24)(H,25,26,27)