5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[4-(diethylamino)phenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]-2-furamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H25BrN4O2/c1-5-25(6-2)17-9-7-16(8-10-17)23-21(27)19-12-11-18(28-19)13-26-15(4)20(22)14(3)24-26/h7-12H,5-6,13H2,1-4H3,(H,23,27)