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

Systemtic Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-2-chloranyl-4-nitro-N-pentyl-benzamide Openeye Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-2-chloro-4-nitro-N-pentyl-benzamide CAS Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-pentylbenzamide IUPAC Name: N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]-2-chloro-4-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]-2-chloro-4-nitro-benzamide Formula: C27H31Cl2N5O4 MolecularWeight: 560.47214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H31Cl2N5O4/c1-5-6-9-14-32(26(36)19-13-12-18(34(37)38)15-21(19)29)17-25(35)30-24-16-23(27(2,3)4)31-33(24)22-11-8-7-10-20(22)28/h7-8,10-13,15-16H,5-6,9,14,17H2,1-4H3,(H,30,35)