6-bromanyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: 6-bromanyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 6-bromo-4-oxo-N-[2-(p-tolylmethyl)pyrazol-3-yl]chromene-2-carboxamide CAS Name: 6-bromo-N-[2-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 6-bromo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide Traditional Name: 6-bromo-4-keto-N-[2-(4-methylbenzyl)pyrazol-3-yl]chromene-2-carboxamide Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H16BrN3O3/c1-13-2-4-14(5-3-13)12-25-20(8-9-23-25)24-21(27)19-11-17(26)16-10-15(22)6-7-18(16)28-19/h2-11H,12H2,1H3,(H,24,27)