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

Systemtic Name: 3-[(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenyl-5-propyl-oxolan-2-one Openeye Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenyl-5-propyl-tetrahydrofuran-2-one CAS Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenyl-5-propyl-2-oxolanone IUPAC Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenyl-5-propyloxolan-2-one Traditional Name: 3-[(4-bromo-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenyl-5-propyl-tetrahydrofuran-2-one Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(=O)O1)NC2=NNC(=C2Br)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1(CC(C(=O)O1)NC2=NNC(=C2Br)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3O2/c1-2-13-22(16-11-7-4-8-12-16)14-17(21(27)28-22)24-20-18(23)19(25-26-20)15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H2,24,25,26)