3-(azepan-1-ylcarbonyl)-6-(azepan-1-ylsulfonyl)-1-prop-2-enyl-quinolin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-(azepan-1-ylsulfonyl)-1-prop-2-enyl-quinolin-4-one Openeye Name: 1-allyl-3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-(1-azepanylsulfonyl)-1-prop-2-enyl-4-quinolinone IUPAC Name: 3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)-1-prop-2-enylquinolin-4-one Traditional Name: 1-allyl-3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)-4-quinolone Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-2-13-27-19-22(25(30)26-14-7-3-4-8-15-26)24(29)21-18-20(11-12-23(21)27)33(31,32)28-16-9-5-6-10-17-28/h2,11-12,18-19H,1,3-10,13-17H2