N'-(2-bromophenyl)-N-(4-cyano-2-oxidanyl-phenyl)-3-(hydroxymethyl)piperidine-1-carboximidamide

Systemtic Name: N'-(2-bromophenyl)-N-(4-cyano-2-oxidanyl-phenyl)-3-(hydroxymethyl)piperidine-1-carboximidamide Openeye Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxy-phenyl)-3-(hydroxymethyl)piperidine-1-carboxamidine CAS Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxyphenyl)-3-(hydroxymethyl)-1-piperidinecarboximidamide IUPAC Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxyphenyl)-3-(hydroxymethyl)piperidine-1-carboximidamide Traditional Name: N'-(2-bromophenyl)-N-(4-cyano-2-hydroxy-phenyl)-3-methylol-piperidine-1-carboxamidine Formula: C20H21BrN4O2 MolecularWeight: 429.31034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=NC2=CC=CC=C2Br)NC3=C(C=C(C=C3)C#N)O)CO

Isomeric SMILES

C1CC(CN(C1)C(=NC2=CC=CC=C2Br)NC3=C(C=C(C=C3)C#N)O)CO

InChI

InChI=1S/C20H21BrN4O2/c21-16-5-1-2-6-17(16)23-20(25-9-3-4-15(12-25)13-26)24-18-8-7-14(11-22)10-19(18)27/h1-2,5-8,10,15,26-27H,3-4,9,12-13H2,(H,23,24)