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

Systemtic Name: 3-bromanyl-N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-butyl-N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-butyl-N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-butyl-N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]benzamide Formula: C27H33BrN4O2 MolecularWeight: 525.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33BrN4O2/c1-6-7-14-31(26(34)20-11-9-12-21(28)16-20)18-25(33)29-24-17-23(27(3,4)5)30-32(24)22-13-8-10-19(2)15-22/h8-13,15-17H,6-7,14,18H2,1-5H3,(H,29,33)