3-[(5R)-1-(1-adamantylcarbonyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one

Systemtic Name: 3-[(5R)-1-(1-adamantylcarbonyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one Openeye Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-(2-furyl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-quinolin-2-one CAS Name: 3-[(5R)-1-[1-adamantyl(oxo)methyl]-5-(2-furanyl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone IUPAC Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-(furan-2-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenylquinolin-2-one Traditional Name: 3-[(5R)-1-(adamantane-1-carbonyl)-5-(2-furyl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-carbostyril Formula: C33H30BrN3O3 MolecularWeight: 596.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4C(CC(=C5C(=C6C=C(C=CC6=NC5=O)Br)C7=CC=CC=C7)N4)C8=CC=CO8

Isomeric SMILES

C1[C@@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6)C8=CC=CO8

InChI

InChI=1S/C33H30BrN3O3/c34-23-8-9-25-24(14-23)29(22-5-2-1-3-6-22)30(31(38)35-25)26-15-27(28-7-4-10-40-28)37(36-26)32(39)33-16-19-11-20(17-33)13-21(12-19)18-33/h1-10,14,19-21,27,36H,11-13,15-18H2/t19?,20?,21?,27-,33?/m1/s1