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

Systemtic Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzimidazole-5-carboximidamide Openeye Name: 2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-[2-oxo-2-(1-piperidyl)ethyl]benzimidazole-5-carboxamidine CAS Name: 2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenoxy]methyl]-1-[2-oxo-2-(1-piperidinyl)ethyl]-5-benzimidazolecarboximidamide IUPAC Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenoxy]methyl]-1-(2-oxo-2-piperidin-1-ylethyl)benzimidazole-5-carboximidamide Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenoxy]methyl]-1-(2-keto-2-piperidino-ethyl)benzimidazole-5-carboxamidine Formula: C29H37N7O3 MolecularWeight: 531.64918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)N5CCCCC5)C=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)OCC3=NC4=C(N3CC(=O)N5CCCCC5)C=CC(=C4)C(=N)N

InChI

InChI=1S/C29H37N7O3/c1-20(30)34-15-11-24(12-16-34)39-23-8-6-22(7-9-23)38-19-27-33-25-17-21(29(31)32)5-10-26(25)36(27)18-28(37)35-13-3-2-4-14-35/h5-10,17,24,30H,2-4,11-16,18-19H2,1H3,(H3,31,32)