3-bromanyl-N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-butyl-N-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-butyl-N-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]benzamide Formula: C26H31BrN4O2 MolecularWeight: 511.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C26H31BrN4O2/c1-5-6-15-30(25(33)19-11-10-12-20(27)16-19)18-24(32)28-23-17-22(26(2,3)4)29-31(23)21-13-8-7-9-14-21/h7-14,16-17H,5-6,15,18H2,1-4H3,(H,28,32)