4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]benzenecarboximidamide

Systemtic Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]benzenecarboximidamide Openeye Name: 4-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]benzamidine CAS Name: 4-[[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]benzenecarboximidamide IUPAC Name: 4-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]benzenecarboximidamide Traditional Name: 4-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]methyl]benzamidine Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H29N5O2/c1-16(25)28-12-9-20(10-13-28)31-21-6-7-22-19(14-21)8-11-29(24(22)30)15-17-2-4-18(5-3-17)23(26)27/h2-7,14,20,25H,8-13,15H2,1H3,(H3,26,27)