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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-benzyl-N-[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C31H33N5O4 MolecularWeight: 539.62482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C31H33N5O4/c1-21-11-16-26(22(2)17-21)35-28(18-27(33-35)31(3,4)5)32-29(37)20-34(19-23-9-7-6-8-10-23)30(38)24-12-14-25(15-13-24)36(39)40/h6-18H,19-20H2,1-5H3,(H,32,37)