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

Systemtic Name: 4-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-propyl-benzamide Openeye Name: 4-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-N-propyl-benzamide CAS Name: 4-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-N-propylbenzamide IUPAC Name: 4-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-N-propylbenzamide Traditional Name: 4-butyl-N-[2-[[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-N-propyl-benzamide Formula: C31H33ClN4O2 MolecularWeight: 529.07232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCC)CC(=O)NC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCC)CC(=O)NC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C31H33ClN4O2/c1-3-5-11-23-16-18-25(19-17-23)31(38)35(20-4-2)22-30(37)33-29-21-27(24-12-7-6-8-13-24)34-36(29)28-15-10-9-14-26(28)32/h6-10,12-19,21H,3-5,11,20,22H2,1-2H3,(H,33,37)