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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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