1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C30H39FN4O MolecularWeight: 490.655263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)F

InChI

InChI=1S/C30H39FN4O/c1-3-27-26(16-21-6-4-7-25(31)15-21)28(33-20(2)32-27)34-8-5-9-35(11-10-34)29(36)30-17-22-12-23(18-30)14-24(13-22)19-30/h4,6-7,15,22-24H,3,5,8-14,16-19H2,1-2H3