6-[5-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(3-bromo-4-methoxyphenyl)-1-phenyl-3-pyrazolidinylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(3-bromo-4-methoxyphenyl)-1-phenylpyrazolidin-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazolidin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C23H21BrN2O2 MolecularWeight: 437.32904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CC(N(N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2CC(N(N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)C=C1

InChI

InChI=1S/C23H21BrN2O2/c1-15-8-10-22(27)18(12-15)20-14-21(16-9-11-23(28-2)19(24)13-16)26(25-20)17-6-4-3-5-7-17/h3-13,21,25H,14H2,1-2H3