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

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(2-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-(2-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-4-(2-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=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC(=CC=C5)F

InChI

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