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

Systemtic Name: 3-chloranyl-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 3-chloro-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 3-chloro-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 3-chloro-1-[4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Formula: C23H30ClFN4O MolecularWeight: 432.961903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClFN4O/c1-16-20(14-18-7-5-8-19(25)13-18)21(27-17(2)26-16)28-9-6-10-29(12-11-28)22(30)23(3,4)15-24/h5,7-8,13H,6,9-12,14-15H2,1-4H3