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

Systemtic Name: 1-adamantyl-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 1-adamantyl-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 1-adamantyl-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: 1-adamantyl-[5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 1-adamantyl-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-2-pyrazolin-1-yl]methanone Formula: C27H29N3O4 MolecularWeight: 459.53686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O4/c1-34-23-8-4-20(5-9-23)24-13-25(21-2-6-22(7-3-21)30(32)33)29(28-24)26(31)27-14-17-10-18(15-27)12-19(11-17)16-27/h2-9,17-19,25H,10-16H2,1H3