1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C28H29FN4O2S MolecularWeight: 504.618863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H29FN4O2S/c1-20-26(19-22-8-5-11-24(29)18-22)28(31-21(2)30-20)32-14-7-15-33(17-16-32)36(34,35)27-13-6-10-23-9-3-4-12-25(23)27/h3-6,8-13,18H,7,14-17,19H2,1-2H3