N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-nitro-N-pentyl-benzamide

Systemtic Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-nitro-N-pentyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-nitro-N-pentyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-4-nitro-N-pentylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-4-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C(C)(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C(C)(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C29H37N5O4/c1-7-8-9-16-32(28(36)22-11-13-23(14-12-22)34(37)38)19-27(35)30-26-18-25(29(4,5)6)31-33(26)24-15-10-20(2)17-21(24)3/h10-15,17-18H,7-9,16,19H2,1-6H3,(H,30,35)