2-(2-bromophenyl)-3-(4-cyano-2-oxidanyl-phenyl)-1,1-di(propan-2-yl)guanidine

Systemtic Name: 2-(2-bromophenyl)-3-(4-cyano-2-oxidanyl-phenyl)-1,1-di(propan-2-yl)guanidine Openeye Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxy-phenyl)-1,1-diisopropyl-guanidine CAS Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxyphenyl)-1,1-di(propan-2-yl)guanidine IUPAC Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxyphenyl)-1,1-di(propan-2-yl)guanidine Traditional Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxy-phenyl)-1,1-diisopropyl-guanidine Formula: C20H23BrN4O MolecularWeight: 415.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=NC1=CC=CC=C1Br)NC2=C(C=C(C=C2)C#N)O

Isomeric SMILES

CC(C)N(C(C)C)C(=NC1=CC=CC=C1Br)NC2=C(C=C(C=C2)C#N)O

InChI

InChI=1S/C20H23BrN4O/c1-13(2)25(14(3)4)20(23-17-8-6-5-7-16(17)21)24-18-10-9-15(12-22)11-19(18)26/h5-11,13-14,26H,1-4H3,(H,23,24)