3-[(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyl-oxolan-2-one

Systemtic Name: 3-[(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyl-oxolan-2-one Openeye Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyl-tetrahydrofuran-2-one CAS Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyl-2-oxolanone IUPAC Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyloxolan-2-one Traditional Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-(2-methoxyphenyl)-5-methyl-tetrahydrofuran-2-one Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=NNC(=C2Br)C3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=NNC(=C2Br)C3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H20BrN3O3/c1-21(14-10-6-7-11-16(14)27-2)12-15(20(26)28-21)23-19-17(22)18(24-25-19)13-8-4-3-5-9-13/h3-11,15H,12H2,1-2H3,(H2,23,24,25)