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

Systemtic Name: 4-[[5-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]benzimidazol-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-benzimidazolyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[5-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[5-[(1-acetimidoyl-4-piperidyl)oxy]benzimidazol-1-yl]methyl]-1-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=CC=C(C5=CC=CC=C45)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C=N3)CC4=CC=C(C5=CC=CC=C45)C(=N)N

InChI

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