2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=NCCC2=CC=C(C=C2)Cl)NC#N)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=NCCC2=CC=C(C=C2)Cl)NC#N)CC(=O)N3CCCC3

InChI

InChI=1S/C22H29ClN6O2/c23-18-8-6-17(7-9-18)10-11-25-22(26-16-24)27-19-5-1-2-14-29(21(19)31)15-20(30)28-12-3-4-13-28/h6-9,19H,1-5,10-15H2,(H2,25,26,27)