1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azocan-3-yl]guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azocanyl]guanidine IUPAC Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azocan-3-yl]guanidine Traditional Name: 1-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azocan-3-yl]-3-(2-methylbenzofuran-5-yl)guanidine Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C24H30N6O3/c1-17-13-18-14-19(8-9-21(18)33-17)27-24(26-16-25)28-20-7-3-2-4-12-30(23(20)32)15-22(31)29-10-5-6-11-29/h8-9,13-14,20H,2-7,10-12,15H2,1H3,(H2,26,27,28)