1-cyano-3-(2-methylindazol-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-methylindazol-5-yl)-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methylindazol-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-methyl-5-indazolyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2-methylindazol-5-yl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-methylindazol-5-yl)guanidine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=C(C=CC2=N1)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

Isomeric SMILES

CN1C=C2C=C(C=CC2=N1)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC#N

InChI

InChI=1S/C22H28N8O2/c1-28-13-16-12-17(7-8-18(16)27-28)25-22(24-15-23)26-19-6-2-3-11-30(21(19)32)14-20(31)29-9-4-5-10-29/h7-8,12-13,19H,2-6,9-11,14H2,1H3,(H2,24,25,26)/t19-/m0/s1