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

Systemtic Name: 1-[3-(3-azanyloxy-2-cyano-propyl)phenyl]-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-[3-(3-aminooxy-2-cyano-propyl)phenyl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-[3-(3-aminooxy-2-cyanopropyl)phenyl]-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-[3-(3-aminooxy-2-cyanopropyl)phenyl]-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-[3-(3-aminooxy-2-cyano-propyl)phenyl]-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C24H32N8O3 MolecularWeight: 480.56268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=CC(=C2)CC(CON)C#N)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=CC(=C2)CC(CON)C#N)CC(=O)N3CCCC3

InChI

InChI=1S/C24H32N8O3/c25-14-19(16-35-27)12-18-6-5-7-20(13-18)29-24(28-17-26)30-21-8-1-2-11-32(23(21)34)15-22(33)31-9-3-4-10-31/h5-7,13,19,21H,1-4,8-12,15-16,27H2,(H2,28,29,30)