6-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2H-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2H-chromene-3-carboxamide Openeye Name: 6-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2H-chromene-3-carboxamide CAS Name: 6-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2H-chromene-3-carboxamide Traditional Name: 6-bromo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2H-chromene-3-carboxamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

InChI

InChI=1S/C21H18BrN3O3/c1-13-19(21(27)25(24(13)2)17-6-4-3-5-7-17)23-20(26)15-10-14-11-16(22)8-9-18(14)28-12-15/h3-11H,12H2,1-2H3,(H,23,26)