3-(azepan-1-ylcarbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-quinolin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-quinolin-4-one IUPAC Name: 3-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1H-quinolin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-quinolone Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O4S/c29-24-21-15-20(33(31,32)28-14-11-18-7-3-4-8-19(18)17-28)9-10-23(21)26-16-22(24)25(30)27-12-5-1-2-6-13-27/h3-4,7-10,15-16H,1-2,5-6,11-14,17H2,(H,26,29)