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

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methylbenzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-piperidyl]guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-piperidinyl]guanidine IUPAC Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]guanidine Traditional Name: 1-cyano-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)-3-piperidyl]-3-(2-methylbenzofuran-5-yl)guanidine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C22H26N6O3/c1-15-11-16-12-17(6-7-19(16)31-15)25-22(24-14-23)26-18-5-4-10-28(21(18)30)13-20(29)27-8-2-3-9-27/h6-7,11-12,18H,2-5,8-10,13H2,1H3,(H2,24,25,26)/t18-/m0/s1