1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C27H39FN4O MolecularWeight: 454.623163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C27H39FN4O/c1-19(18-27(4,5)6)15-25(33)31-11-8-12-32(14-13-31)26-24(20(2)29-21(3)30-26)17-22-9-7-10-23(28)16-22/h7,9-10,16,19H,8,11-15,17-18H2,1-6H3