2-(2-bromophenyl)-3-(4-cyano-2-oxidanyl-phenyl)-1-[3-(dimethylamino)propyl]-1-methyl-guanidine

Systemtic Name: 2-(2-bromophenyl)-3-(4-cyano-2-oxidanyl-phenyl)-1-[3-(dimethylamino)propyl]-1-methyl-guanidine Openeye Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxy-phenyl)-1-[3-(dimethylamino)propyl]-1-methyl-guanidine CAS Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxyphenyl)-1-[3-(dimethylamino)propyl]-1-methylguanidine IUPAC Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxyphenyl)-1-[3-(dimethylamino)propyl]-1-methylguanidine Traditional Name: 2-(2-bromophenyl)-3-(4-cyano-2-hydroxy-phenyl)-1-[3-(dimethylamino)propyl]-1-methyl-guanidine Formula: C20H24BrN5O MolecularWeight: 430.34146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN5O/c1-25(2)11-6-12-26(3)20(23-17-8-5-4-7-16(17)21)24-18-10-9-15(14-22)13-19(18)27/h4-5,7-10,13,27H,6,11-12H2,1-3H3,(H,23,24)