N-[2-[(2-bromophenyl)amino]ethyl]-N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanediamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]ethyl]-N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanediamide Openeye Name: N-[2-(2-bromoanilino)ethyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)oxamide CAS Name: N-[2-(2-bromoanilino)ethyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)oxamide IUPAC Name: N-[2-(2-bromoanilino)ethyl]-N'-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)oxamide Traditional Name: N-[2-(2-bromoanilino)ethyl]-N'-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)oxamide Formula: C21H22BrN5O3 MolecularWeight: 472.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NCCNC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)NCCNC3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN5O3/c1-14-18(21(30)27(26(14)2)15-8-4-3-5-9-15)25-20(29)19(28)24-13-12-23-17-11-7-6-10-16(17)22/h3-11,23H,12-13H2,1-2H3,(H,24,28)(H,25,29)