3-bromanyl-N-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]-3-bromo-benzamide CAS Name: 3-bromo-N-[2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]-3-bromo-benzamide Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H23BrN4O2/c1-15-20(16(2)27(26-15)14-17-7-4-3-5-8-17)12-24-21(28)13-25-22(29)18-9-6-10-19(23)11-18/h3-11H,12-14H2,1-2H3,(H,24,28)(H,25,29)