N-(1,2-benzoxazol-3-yl)-4-[[3-(3-bromanylphenoxy)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(1,2-benzoxazol-3-yl)-4-[[3-(3-bromanylphenoxy)phenyl]methyl]piperazine-1-carboxamide Openeye Name: N-(1,2-benzoxazol-3-yl)-4-[[3-(3-bromophenoxy)phenyl]methyl]piperazine-1-carboxamide CAS Name: N-(1,2-benzoxazol-3-yl)-4-[[3-(3-bromophenoxy)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,2-benzoxazol-3-yl)-4-[[3-(3-bromophenoxy)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-[3-(3-bromophenoxy)benzyl]-N-indoxazen-3-yl-piperazine-1-carboxamide Formula: C25H23BrN4O3 MolecularWeight: 507.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC(=CC=C3)Br)C(=O)NC4=NOC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC(=CC=C3)Br)C(=O)NC4=NOC5=CC=CC=C54

InChI

InChI=1S/C25H23BrN4O3/c26-19-6-4-8-21(16-19)32-20-7-3-5-18(15-20)17-29-11-13-30(14-12-29)25(31)27-24-22-9-1-2-10-23(22)33-28-24/h1-10,15-16H,11-14,17H2,(H,27,28,31)