1-adamantyl-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: 1-adamantyl-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]methanone Formula: C27H29BrN2O2 MolecularWeight: 493.43536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=C(C=C3)Br)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29BrN2O2/c1-32-23-8-4-20(5-9-23)24-13-25(21-2-6-22(28)7-3-21)30(29-24)26(31)27-14-17-10-18(15-27)12-19(11-17)16-27/h2-9,17-19,25H,10-16H2,1H3/t17?,18?,19?,25-,27?/m1/s1