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

Systemtic Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-nitro-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-N-(3-methoxypropyl)-4-nitro-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-nitrobenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-nitrobenzamide Traditional Name: N-[2-[[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]amino]-2-keto-ethyl]-N-(3-methoxypropyl)-4-nitro-benzamide Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O5/c1-19-8-6-9-22(16-19)31-24(17-23(29-31)27(2,3)4)28-25(33)18-30(14-7-15-37-5)26(34)20-10-12-21(13-11-20)32(35)36/h6,8-13,16-17H,7,14-15,18H2,1-5H3,(H,28,33)