7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]methyl]-2-naphthamidine Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C28H31N5O2/c1-18(29)32-12-9-24(10-13-32)35-25-6-7-26-21(16-25)8-11-33(28(26)34)17-19-2-3-20-4-5-22(27(30)31)15-23(20)14-19/h2-7,14-16,24,29H,8-13,17H2,1H3,(H3,30,31)