2-[[1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methyl-propane-1,3-diol

Systemtic Name: 2-[[1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methyl-propane-1,3-diol Openeye Name: 2-[[1-[8-(4-amino-1-piperidyl)-2-quinolyl]benzimidazol-5-yl]oxymethyl]-2-methyl-propane-1,3-diol CAS Name: 2-[[1-[8-(4-amino-1-piperidinyl)-2-quinolinyl]-5-benzimidazolyl]oxymethyl]-2-methylpropane-1,3-diol IUPAC Name: 2-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol Traditional Name: 2-[[1-[8-(4-aminopiperidino)-2-quinolyl]benzimidazol-5-yl]oxymethyl]-2-methyl-propane-1,3-diol Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC1=CC2=C(C=C1)N(C=N2)C3=NC4=C(C=CC=C4N5CCC(CC5)N)C=C3

Isomeric SMILES

CC(CO)(CO)COC1=CC2=C(C=C1)N(C=N2)C3=NC4=C(C=CC=C4N5CCC(CC5)N)C=C3

InChI

InChI=1S/C26H31N5O3/c1-26(14-32,15-33)16-34-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19,32-33H,9-12,14-16,27H2,1H3