2-(1,3-benzodioxol-5-ylmethyl)-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-cyano-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-2-piperonyl-guanidine Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=NCC2=CC3=C(C=C2)OCO3)NC#N)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=NCC2=CC3=C(C=C2)OCO3)NC#N)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N6O4/c23-14-25-22(24-12-16-6-7-18-19(11-16)32-15-31-18)26-17-5-1-2-10-28(21(17)30)13-20(29)27-8-3-4-9-27/h6-7,11,17H,1-5,8-10,12-13,15H2,(H2,24,25,26)