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

Systemtic Name: 1-adamantyl-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[(5R)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]methanone Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C28H32N2O3/c1-32-23-7-3-21(4-8-23)25-14-26(22-5-9-24(33-2)10-6-22)30(29-25)27(31)28-15-18-11-19(16-28)13-20(12-18)17-28/h3-10,18-20,26H,11-17H2,1-2H3/t18?,19?,20?,26-,28?/m1/s1