N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-iodanyl-N-propan-2-yl-benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-iodanyl-N-propan-2-yl-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-iodo-N-isopropyl-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-iodo-N-propan-2-ylbenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodo-N-propan-2-ylbenzamide Traditional Name: 2-iodo-N-isopropyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C21H22IN3O2 MolecularWeight: 475.32275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC=CC=C3I

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H22IN3O2/c1-14(2)24(20(26)17-12-8-9-13-18(17)22)19-15(3)23(4)25(21(19)27)16-10-6-5-7-11-16/h5-14H,1-4H3