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

Systemtic Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]octanamide CAS Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]octanamide IUPAC Name: N-butyl-N-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]octanamide Traditional Name: N-butyl-N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]caprylamide Formula: C27H42N4O2 MolecularWeight: 454.64798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCC)CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)N(CCCC)CC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C27H42N4O2/c1-6-8-10-11-15-18-26(33)30(19-9-7-2)21-25(32)28-24-20-23(27(3,4)5)29-31(24)22-16-13-12-14-17-22/h12-14,16-17,20H,6-11,15,18-19,21H2,1-5H3,(H,28,32)