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

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C29H31FN4O2S MolecularWeight: 518.645443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC(=CC=C5)F

InChI

InChI=1S/C29H31FN4O2S/c1-3-27-26(20-22-9-6-12-24(30)19-22)29(32-21(2)31-27)33-15-8-16-34(18-17-33)37(35,36)28-14-7-11-23-10-4-5-13-25(23)28/h4-7,9-14,19H,3,8,15-18,20H2,1-2H3