8-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C28H31N5O2S MolecularWeight: 501.64304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C(C)C

InChI

InChI=1S/C28H31N5O2S/c1-20(2)25-21(3)30-27(23-10-5-4-6-11-23)31-28(25)32-16-9-17-33(19-18-32)36(34,35)24-14-7-12-22-13-8-15-29-26(22)24/h4-8,10-15,20H,9,16-19H2,1-3H3