1-adamantyl-[4-[6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-isopropyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[6-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-isopropyl-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]methanone Formula: C30H37F3N4O MolecularWeight: 526.63619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C(C)C

InChI

InChI=1S/C30H37F3N4O/c1-18(2)25-19(3)34-26(23-4-6-24(7-5-23)30(31,32)33)35-27(25)36-8-10-37(11-9-36)28(38)29-15-20-12-21(16-29)14-22(13-20)17-29/h4-7,18,20-22H,8-17H2,1-3H3