N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-4-hexyl-benzamide

Systemtic Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-4-hexyl-benzamide Openeye Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-N-(2-furylmethyl)-4-hexyl-benzamide CAS Name: N-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-N-(2-furanylmethyl)-4-hexylbenzamide IUPAC Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-hexylbenzamide Traditional Name: N-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]-N-(2-furfuryl)-4-hexyl-benzamide Formula: C35H36N4O3 MolecularWeight: 560.68534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H36N4O3/c1-2-3-4-7-13-27-19-21-29(22-20-27)35(41)38(25-31-18-12-23-42-31)26-34(40)36-33-24-32(28-14-8-5-9-15-28)37-39(33)30-16-10-6-11-17-30/h5-6,8-12,14-24H,2-4,7,13,25-26H2,1H3,(H,36,40)