3-[(5S)-5-(1H-benzimidazol-2-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one

Systemtic Name: 3-[(5S)-5-(1H-benzimidazol-2-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one Openeye Name: 3-[(5S)-1-acetyl-5-(1H-benzimidazol-2-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-quinolin-2-one CAS Name: 3-[(5S)-1-acetyl-5-(1H-benzimidazol-2-yl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone IUPAC Name: 3-[(5S)-1-acetyl-5-(1H-benzimidazol-2-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenylquinolin-2-one Traditional Name: 3-[(5S)-1-acetyl-5-(1H-benzimidazol-2-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-carbostyril Formula: C27H20BrN5O2 MolecularWeight: 526.384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(=O)N1[C@@H](CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H20BrN5O2/c1-15(34)33-23(26-29-20-9-5-6-10-21(20)30-26)14-22(32-33)25-24(16-7-3-2-4-8-16)18-13-17(28)11-12-19(18)31-27(25)35/h2-13,23,32H,14H2,1H3,(H,29,30)/t23-/m0/s1