ethyl 4-[[N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(cyanoamino)-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[N-cyano-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H35N7O4 MolecularWeight: 461.5578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

InChI

InChI=1S/C22H35N7O4/c1-2-33-22(32)28-13-8-17(9-14-28)25-21(24-16-23)26-18-7-3-4-12-29(20(18)31)15-19(30)27-10-5-6-11-27/h17-18H,2-15H2,1H3,(H2,24,25,26)