1-[2-bromanyl-1-(5-pyrimidin-5-ylpent-4-ynyl)indol-3-yl]-N-tert-butyl-methanimine

Systemtic Name: 1-[2-bromanyl-1-(5-pyrimidin-5-ylpent-4-ynyl)indol-3-yl]-N-tert-butyl-methanimine Openeye Name: 1-[2-bromo-1-(5-pyrimidin-5-ylpent-4-ynyl)indol-3-yl]-N-tert-butyl-methanimine CAS Name: 1-[2-bromo-1-[5-(5-pyrimidinyl)pent-4-ynyl]-3-indolyl]-N-tert-butylmethanimine IUPAC Name: 1-[2-bromo-1-(5-pyrimidin-5-ylpent-4-ynyl)indol-3-yl]-N-tert-butylmethanimine Traditional Name: [2-bromo-1-[5-(5-pyrimidyl)pent-4-ynyl]indol-3-yl]methylene-tert-butyl-amine Formula: C22H23BrN4 MolecularWeight: 423.34882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCCC#CC3=CN=CN=C3)Br

Isomeric SMILES

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCCC#CC3=CN=CN=C3)Br

InChI

InChI=1S/C22H23BrN4/c1-22(2,3)26-15-19-18-10-6-7-11-20(18)27(21(19)23)12-8-4-5-9-17-13-24-16-25-14-17/h6-7,10-11,13-16H,4,8,12H2,1-3H3