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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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