N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-N,3-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-N,3-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2-bromoanilino)-2-oxo-ethyl]-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-5-chloro-N,3-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2-bromoanilino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(2-bromoanilino)-2-keto-ethyl]-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide Formula: C21H20BrClN4O2 MolecularWeight: 475.7661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(C)CC(=O)NC2=CC=CC=C2Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H20BrClN4O2/c1-14-19(20(23)27(25-14)12-15-8-4-3-5-9-15)21(29)26(2)13-18(28)24-17-11-7-6-10-16(17)22/h3-11H,12-13H2,1-2H3,(H,24,28)