(3S)-3-[(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methylamino]azepan-2-one

Systemtic Name: (3S)-3-[(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methylamino]azepan-2-one Openeye Name: (3S)-3-[[7-methoxy-2-(3-thienyl)-3-quinolyl]methylamino]azepan-2-one CAS Name: (3S)-3-[[7-methoxy-2-(3-thiophenyl)-3-quinolinyl]methylamino]-2-azepanone IUPAC Name: (3S)-3-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]azepan-2-one Traditional Name: (3S)-3-[[7-methoxy-2-(3-thienyl)-3-quinolyl]methylamino]azepan-2-one Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CNC3CCCCNC3=O)C4=CSC=C4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CN[C@H]3CCCCNC3=O)C4=CSC=C4

InChI

InChI=1S/C21H23N3O2S/c1-26-17-6-5-14-10-16(12-23-18-4-2-3-8-22-21(18)25)20(24-19(14)11-17)15-7-9-27-13-15/h5-7,9-11,13,18,23H,2-4,8,12H2,1H3,(H,22,25)/t18-/m0/s1