3-[(5S)-1-(1-adamantylcarbonyl)-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one

Systemtic Name: 3-[(5S)-1-(1-adamantylcarbonyl)-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-bromanyl-4-phenyl-quinolin-2-one Openeye Name: 3-[(5S)-1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-quinolin-2-one CAS Name: 3-[(5S)-1-[1-adamantyl(oxo)methyl]-5-(2-methoxyphenyl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone IUPAC Name: 3-[(5S)-1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-bromo-4-phenylquinolin-2-one Traditional Name: 3-[(5S)-1-(adamantane-1-carbonyl)-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-carbostyril Formula: C36H34BrN3O3 MolecularWeight: 636.57746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)NN2C(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)NN2C(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C36H34BrN3O3/c1-43-31-10-6-5-9-26(31)30-17-29(39-40(30)35(42)36-18-21-13-22(19-36)15-23(14-21)20-36)33-32(24-7-3-2-4-8-24)27-16-25(37)11-12-28(27)38-34(33)41/h2-12,16,21-23,30,39H,13-15,17-20H2,1H3/t21?,22?,23?,30-,36?/m0/s1