1-cyano-3-(2,7-dimethyl-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2,7-dimethyl-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2,7-dimethylbenzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2,7-dimethyl-5-benzofuranyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2,7-dimethyl-1-benzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-3-(2,7-dimethylbenzofuran-5-yl)-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CC(=C2O1)C)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC1=CC2=CC(=CC(=C2O1)C)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C24H30N6O3/c1-16-11-19(13-18-12-17(2)33-22(16)18)27-24(26-15-25)28-20-7-3-4-10-30(23(20)32)14-21(31)29-8-5-6-9-29/h11-13,20H,3-10,14H2,1-2H3,(H2,26,27,28)/t20-/m0/s1