5-tert-butyl-4-[(E)-indol-3-ylidenemethyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-4-[(E)-indol-3-ylidenemethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-4-[(E)-indol-3-ylidenemethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-tert-butyl-4-[(E)-3-indolylidenemethyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-4-[(E)-indol-3-ylidenemethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-4-[(E)-indol-3-ylidenemethyl]-2-phenyl-3-pyrazolin-3-one Formula: C22H21N3O MolecularWeight: 343.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C\3/C=NC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O/c1-22(2,3)20-18(13-15-14-23-19-12-8-7-11-17(15)19)21(26)25(24-20)16-9-5-4-6-10-16/h4-14,24H,1-3H3/b15-13-