7-[[5-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]benzimidazol-1-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-benzimidazolyl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[5-[(1-acetimidoyl-4-piperidyl)oxy]benzimidazol-1-yl]methyl]-2-naphthamidine Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C=N3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C=N3)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C26H28N6O/c1-17(27)31-10-8-22(9-11-31)33-23-6-7-25-24(14-23)30-16-32(25)15-18-2-3-19-4-5-20(26(28)29)13-21(19)12-18/h2-7,12-14,16,22,27H,8-11,15H2,1H3,(H3,28,29)