1-(5-bromanyl-2,3-dihydro-1H-indol-7-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(5-bromanyl-2,3-dihydro-1H-indol-7-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(5-bromoindolin-7-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(5-bromo-2,3-dihydro-1H-indol-7-yl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(5-bromo-2,3-dihydro-1H-indol-7-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(5-bromoindolin-7-yl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C22H28BrN7O2 MolecularWeight: 502.40742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=C3C(=CC(=C2)Br)CCN3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=C3C(=CC(=C2)Br)CCN3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28BrN7O2/c23-16-11-15-6-7-25-20(15)18(12-16)28-22(26-14-24)27-17-5-1-2-10-30(21(17)32)13-19(31)29-8-3-4-9-29/h11-12,17,25H,1-10,13H2,(H2,26,27,28)