2-[(4Z)-1,3-bis(oxidanylidene)-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]isoquinolin-2-yl]ethanoate

Systemtic Name: 2-[(4Z)-1,3-bis(oxidanylidene)-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]isoquinolin-2-yl]ethanoate Openeye Name: 2-[(4Z)-1,3-dioxo-4-[[2-(1-piperidyl)-3-quinolyl]methylene]-2-isoquinolyl]acetate CAS Name: 2-[(4Z)-1,3-dioxo-4-[[2-(1-piperidinyl)-3-quinolinyl]methylidene]-2-isoquinolinyl]acetate IUPAC Name: 2-[(4Z)-1,3-dioxo-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]isoquinolin-2-yl]acetate Traditional Name: 2-[(4Z)-1,3-diketo-4-[(2-piperidino-3-quinolyl)methylene]-2-isoquinolyl]acetate Formula: C26H22N3O4- MolecularWeight: 440.47058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2C=C4C5=CC=CC=C5C(=O)N(C4=O)CC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2/C=C\4/C5=CC=CC=C5C(=O)N(C4=O)CC(=O)[O-]

InChI

InChI=1S/C26H23N3O4/c30-23(31)16-29-25(32)20-10-4-3-9-19(20)21(26(29)33)15-18-14-17-8-2-5-11-22(17)27-24(18)28-12-6-1-7-13-28/h2-5,8-11,14-15H,1,6-7,12-13,16H2,(H,30,31)/p-1/b21-15-