5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2H-isoquinolin-1-one Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isocarbostyril Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3

InChI

InChI=1S/C15H19N3O3S/c1-11-10-17-15(19)12-4-2-5-13(14(11)12)22(20,21)18-8-3-6-16-7-9-18/h2,4-5,10,16H,3,6-9H2,1H3,(H,17,19)