[2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid

Systemtic Name: [2-butyl-5-chloranyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Openeye Name: [2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid CAS Name: [2-butyl-5-chloro-3-[[1-(2-cyanophenyl)-4-indolyl]methyl]-4-imidazolyl]phosphonic acid IUPAC Name: [2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Traditional Name: [2-butyl-5-chloro-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]imidazol-4-yl]phosphonic acid Formula: C23H22ClN4O3P MolecularWeight: 468.872541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)P(=O)(O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)P(=O)(O)O)Cl

InChI

InChI=1S/C23H22ClN4O3P/c1-2-3-11-21-26-22(24)23(32(29,30)31)28(21)15-17-8-6-10-20-18(17)12-13-27(20)19-9-5-4-7-16(19)14-25/h4-10,12-13H,2-3,11,15H2,1H3,(H2,29,30,31)