3-[2-(1-adamantylcarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromanyl-4-phenyl-3H-quinolin-2-one

Systemtic Name: 3-[2-(1-adamantylcarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromanyl-4-phenyl-3H-quinolin-2-one Openeye Name: 3-[2-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-3H-quinolin-2-one CAS Name: 3-[2-[1-adamantyl(oxo)methyl]-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-3H-quinolin-2-one IUPAC Name: 3-[2-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-3H-quinolin-2-one Traditional Name: 3-[1-(adamantane-1-carbonyl)-5-(4-methoxyphenyl)-2-pyrazolin-3-yl]-6-bromo-4-phenyl-3H-quinolin-2-one Formula: C36H34BrN3O3 MolecularWeight: 636.57746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)C6C(=C7C=C(C=CC7=NC6=O)Br)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)C6C(=C7C=C(C=CC7=NC6=O)Br)C8=CC=CC=C8

InChI

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