1-cyano-3-(2,3-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-(2,3-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-(2,3-dimethylbenzofuran-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2,3-dimethyl-5-benzofuranyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2,3-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-(2,3-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=C(OC2=C1C=C(C=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N)C

InChI

InChI=1S/C24H30N6O3/c1-16-17(2)33-21-9-8-18(13-19(16)21)27-24(26-15-25)28-20-7-3-4-12-30(23(20)32)14-22(31)29-10-5-6-11-29/h8-9,13,20H,3-7,10-12,14H2,1-2H3,(H2,26,27,28)/t20-/m0/s1