3-[3-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-1-yl]methyl]phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-yl-benzimidazol-1-yl]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-1-yl]methyl]phenyl]benzamidine CAS Name: 3-[3-[[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-propan-2-yl-1-benzimidazolyl]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-1-yl]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-isopropyl-benzimidazol-1-yl]methyl]phenyl]benzamidine Formula: C31H36N6O MolecularWeight: 508.65714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)C=CC(=C2)OC5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)C=CC(=C2)OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C31H36N6O/c1-20(2)31-35-28-18-27(38-26-12-14-36(15-13-26)21(3)32)10-11-29(28)37(31)19-22-6-4-7-23(16-22)24-8-5-9-25(17-24)30(33)34/h4-11,16-18,20,26,32H,12-15,19H2,1-3H3,(H3,33,34)