4-[[2-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-phenacyl-benzimidazole-5-carboximidamide

Systemtic Name: 4-[[2-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-phenacyl-benzimidazole-5-carboximidamide Openeye Name: 4-[[2-[(1-ethanimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-phenacyl-benzimidazole-5-carboxamidine CAS Name: 4-[[2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenoxy]methyl]-1-phenacyl-5-benzimidazolecarboximidamide IUPAC Name: 4-[[2-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-phenacylbenzimidazole-5-carboximidamide Traditional Name: 4-[[2-[(1-acetimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-phenacyl-benzimidazole-5-carboxamidine Formula: C30H32N6O3 MolecularWeight: 524.61348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=CC=C2OCC3=C(C=CC4=C3N=CN4CC(=O)C5=CC=CC=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=CC=C2OCC3=C(C=CC4=C3N=CN4CC(=O)C5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C30H32N6O3/c1-20(31)35-15-13-22(14-16-35)39-28-10-6-5-9-27(28)38-18-24-23(30(32)33)11-12-25-29(24)34-19-36(25)17-26(37)21-7-3-2-4-8-21/h2-12,19,22,31H,13-18H2,1H3,(H3,32,33)