1-(2-cyclopropylquinolin-4-yl)carbonyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(2-cyclopropylquinolin-4-yl)carbonyl-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(2-cyclopropylquinoline-4-carbonyl)-4-(3-fluorobenzyl)-1,4-diazepan-5-one Formula: C25H24FN3O2 MolecularWeight: 417.475363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(=O)N(CC4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(=O)N(CC4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C25H24FN3O2/c26-19-5-3-4-17(14-19)16-29-13-12-28(11-10-24(29)30)25(31)21-15-23(18-8-9-18)27-22-7-2-1-6-20(21)22/h1-7,14-15,18H,8-13,16H2