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

Systemtic Name: 1-adamantyl-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-3-(4-methoxyphenyl)-5-phenyl-2-pyrazolin-1-yl]methanone Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2/c1-31-23-9-7-21(8-10-23)24-14-25(22-5-3-2-4-6-22)29(28-24)26(30)27-15-18-11-19(16-27)13-20(12-18)17-27/h2-10,18-20,25H,11-17H2,1H3/t18?,19?,20?,25-,27?/m1/s1