4-bromanyl-6-[(5S)-5-pyridin-4-ylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[(5S)-5-pyridin-4-ylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[(5S)-5-(4-pyridyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[(5S)-5-pyridin-4-yl-3-pyrazolidinylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[(5S)-5-pyridin-4-ylpyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[(5S)-5-(4-pyridyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C14H12BrN3O MolecularWeight: 318.16858

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NNC1=C2C=C(C=CC2=O)Br)C3=CC=NC=C3

Isomeric SMILES

C1[C@H](NNC1=C2C=C(C=CC2=O)Br)C3=CC=NC=C3

InChI

InChI=1S/C14H12BrN3O/c15-10-1-2-14(19)11(7-10)13-8-12(17-18-13)9-3-5-16-6-4-9/h1-7,12,17-18H,8H2/t12-/m0/s1