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

Systemtic Name: 1-cyano-3-(3-ethanoylphenyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(3-acetylphenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(3-acetylphenyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(3-acetylphenyl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(3-acetylphenyl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)NC#N

InChI

InChI=1S/C22H28N6O3/c1-16(29)17-7-6-8-18(13-17)25-22(24-15-23)26-19-9-2-3-12-28(21(19)31)14-20(30)27-10-4-5-11-27/h6-8,13,19H,2-5,9-12,14H2,1H3,(H2,24,25,26)