N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[[2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-keto-2-[[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl]amino]ethyl]-3-nitro-benzamide Formula: C29H29N5O5 MolecularWeight: 527.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O5/c1-3-4-17-32(29(36)22-11-8-12-24(18-22)34(37)38)20-28(35)30-27-19-26(21-9-6-5-7-10-21)31-33(27)23-13-15-25(39-2)16-14-23/h5-16,18-19H,3-4,17,20H2,1-2H3,(H,30,35)