2-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-cyano-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-cyano-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-cyano-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-cyano-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C23H31BrN6O3 MolecularWeight: 519.43464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(NC#N)NC2CCCCN(C2=O)CC(=O)N3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(NC#N)NC2CCCCN(C2=O)CC(=O)N3CCCC3)Br

InChI

InChI=1S/C23H31BrN6O3/c1-33-20-8-7-17(14-18(20)24)9-10-26-23(27-16-25)28-19-6-2-3-13-30(22(19)32)15-21(31)29-11-4-5-12-29/h7-8,14,19H,2-6,9-13,15H2,1H3,(H2,26,27,28)