2-[(E)-3-(5-bromanylpyridin-3-yl)prop-2-enyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-pyrazolidin-3-one

Systemtic Name: 2-[(E)-3-(5-bromanylpyridin-3-yl)prop-2-enyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-pyrazolidin-3-one Openeye Name: 2-[(E)-3-(5-bromo-3-pyridyl)allyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-pyrazolidin-3-one CAS Name: 2-[(E)-3-(5-bromo-3-pyridinyl)prop-2-enyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-3-pyrazolidinone IUPAC Name: 2-[(E)-3-(5-bromopyridin-3-yl)prop-2-enyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrazolidin-3-one Traditional Name: 2-[(E)-3-(5-bromo-3-pyridyl)allyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-pyrazolidin-3-one Formula: C24H28BrN3O3 MolecularWeight: 486.40142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)N1CC=CC2=CC(=CN=C2)Br)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CN1C(CC(=O)N1C/C=C/C2=CC(=CN=C2)Br)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C24H28BrN3O3/c1-27-21(14-24(29)28(27)11-5-6-17-12-19(25)16-26-15-17)18-9-10-22(30-2)23(13-18)31-20-7-3-4-8-20/h5-6,9-10,12-13,15-16,20-21H,3-4,7-8,11,14H2,1-2H3/b6-5+