1-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(1-oxidanyl-3-phenyl-propan-2-yl)guanidine

Systemtic Name: 1-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3-(1-oxidanyl-3-phenyl-propan-2-yl)guanidine Openeye Name: 1-(1-benzyl-2-hydroxy-ethyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(1-benzyl-2-hydroxy-ethyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC(CC2=CC=CC=C2)CO)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC(CC2=CC=CC=C2)CO)CC(=O)N3CCCC3

InChI

InChI=1S/C23H32N6O3/c24-17-25-23(26-19(16-30)14-18-8-2-1-3-9-18)27-20-10-4-5-13-29(22(20)32)15-21(31)28-11-6-7-12-28/h1-3,8-9,19-20,30H,4-7,10-16H2,(H2,25,26,27)