(6E)-4-bromanyl-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-bromanyl-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-bromo-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-bromo-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenyl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-bromo-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-bromo-3-butoxy-6-[5-(2-hydroxyphenyl)-1-phenyl-pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)C(=C2CC(N(N2)C3=CC=CC=C3)C4=CC=CC=C4O)C=C1Br

Isomeric SMILES

CCCCOC1=CC(=O)/C(=C/2\CC(N(N2)C3=CC=CC=C3)C4=CC=CC=C4O)/C=C1Br

InChI

InChI=1S/C25H25BrN2O3/c1-2-3-13-31-25-16-24(30)19(14-20(25)26)21-15-22(18-11-7-8-12-23(18)29)28(27-21)17-9-5-4-6-10-17/h4-12,14,16,22,27,29H,2-3,13,15H2,1H3/b21-19+