1-adamantyl-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: 1-adamantyl-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(4-bromophenyl)-2-pyrazolin-1-yl]methanone Formula: C36H33Br2N3O MolecularWeight: 683.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)Br)C(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN([C@H](C4)C5=CC=C(C=C5)Br)C(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C36H33Br2N3O/c1-21-33(34(26-5-3-2-4-6-26)29-16-28(38)11-12-30(29)39-21)31-17-32(25-7-9-27(37)10-8-25)41(40-31)35(42)36-18-22-13-23(19-36)15-24(14-22)20-36/h2-12,16,22-24,32H,13-15,17-20H2,1H3/t22?,23?,24?,32-,36?/m1/s1