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

Systemtic Name: N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-propyl-benzamide Openeye Name: N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-propyl-benzamide CAS Name: N-[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide IUPAC Name: N-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-2-chloro-4-nitro-N-propylbenzamide Traditional Name: N-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]-2-chloro-4-nitro-N-propyl-benzamide Formula: C25H28ClN5O4 MolecularWeight: 497.97392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN5O4/c1-5-13-29(24(33)19-12-11-18(31(34)35)14-20(19)26)16-23(32)27-22-15-21(25(2,3)4)28-30(22)17-9-7-6-8-10-17/h6-12,14-15H,5,13,16H2,1-4H3,(H,27,32)