[(3S)-3-(2-azanylquinolin-8-yl)oxypyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [(3S)-3-(2-azanylquinolin-8-yl)oxypyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [(3S)-3-[(2-amino-8-quinolyl)oxy]pyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [(3S)-3-[(2-amino-8-quinolinyl)oxy]-1-pyrrolidinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [(3S)-3-(2-aminoquinolin-8-yl)oxypyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [(3S)-3-[(2-amino-8-quinolyl)oxy]pyrrolidino]-(1,3-benzodioxol-5-yl)methanone Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=CC=CC3=C2N=C(C=C3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C[C@H]1OC2=CC=CC3=C2N=C(C=C3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4/c22-19-7-5-13-2-1-3-17(20(13)23-19)28-15-8-9-24(11-15)21(25)14-4-6-16-18(10-14)27-12-26-16/h1-7,10,15H,8-9,11-12H2,(H2,22,23)/t15-/m0/s1