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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

InChI

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