N-[3-(1-azanylisoquinolin-7-yl)oxypropyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide

Systemtic Name: N-[3-(1-azanylisoquinolin-7-yl)oxypropyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-benzamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)oxy]propyl]-4-[(1-ethanimidoyl-4-piperidyl)oxy]benzamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)oxy]propyl]-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzamide IUPAC Name: N-[3-(1-aminoisoquinolin-7-yl)oxypropyl]-4-(1-ethanimidoylpiperidin-4-yl)oxybenzamide Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]-N-[3-[(1-amino-7-isoquinolyl)oxy]propyl]benzamide Formula: C26H31N5O3 MolecularWeight: 461.55604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCCOC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NCCCOC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H31N5O3/c1-18(27)31-14-10-22(11-15-31)34-21-6-4-20(5-7-21)26(32)30-12-2-16-33-23-8-3-19-9-13-29-25(28)24(19)17-23/h3-9,13,17,22,27H,2,10-12,14-16H2,1H3,(H2,28,29)(H,30,32)