5-bromanyl-N-[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]-2-hexoxy-benzamide Openeye Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-bromo-2-hexoxy-benzamide CAS Name: 5-bromo-N-[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-2-hexoxybenzamide IUPAC Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-bromo-2-hexoxybenzamide Traditional Name: N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-bromo-2-hexoxy-benzamide Formula: C37H40BrN3O3 MolecularWeight: 654.6358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H40BrN3O3/c1-2-3-4-13-26-44-34-21-20-30(38)27-32(34)36(42)39-33-19-12-11-18-31(33)37(43)41-24-22-40(23-25-41)35(28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-12,14-21,27,35H,2-4,13,22-26H2,1H3,(H,39,42)