azepan-1-yl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-1,2,4-oxadiazol-5-yl]methanone

Systemtic Name: azepan-1-yl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-1,2,4-oxadiazol-5-yl]methanone Openeye Name: azepan-1-yl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-1,2,4-oxadiazol-5-yl]methanone CAS Name: 1-azepanyl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]methanone IUPAC Name: azepan-1-yl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]methanone Traditional Name: azepan-1-yl-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-1,2,4-oxadiazol-5-yl]methanone Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCCCC3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCCCC3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O4S/c1-18-10-11-20(23-26-24(33-27-23)25(30)28-13-6-2-3-7-14-28)16-22(18)34(31,32)29-15-12-19-8-4-5-9-21(19)17-29/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3