2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-(3-oxidanylidene-3-piperidin-1-yl-propyl)benzimidazole-5-carboximidamide

Systemtic Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-(3-oxidanylidene-3-piperidin-1-yl-propyl)benzimidazole-5-carboximidamide Openeye Name: 2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-[3-oxo-3-(1-piperidyl)propyl]benzimidazole-5-carboxamidine CAS Name: 2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenoxy]methyl]-1-[3-oxo-3-(1-piperidinyl)propyl]-5-benzimidazolecarboximidamide IUPAC Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-(3-oxo-3-piperidin-1-ylpropyl)benzimidazole-5-carboximidamide Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-(3-keto-3-piperidino-propyl)benzimidazole-5-carboxamidine Formula: C30H39N7O3 MolecularWeight: 545.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CCC(=O)N5CCCCC5)C=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CCC(=O)N5CCCCC5)C=CC(=C4)C(=N)N

InChI

InChI=1S/C30H39N7O3/c1-21(31)35-16-11-25(12-17-35)40-24-8-6-23(7-9-24)39-20-28-34-26-19-22(30(32)33)5-10-27(26)37(28)18-13-29(38)36-14-3-2-4-15-36/h5-10,19,25,31H,2-4,11-18,20H2,1H3,(H3,32,33)