8-(4-azanylpiperidin-1-yl)-2-[5-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]benzimidazol-1-yl]-1H-quinolin-4-one

Systemtic Name: 8-(4-azanylpiperidin-1-yl)-2-[5-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]benzimidazol-1-yl]-1H-quinolin-4-one Openeye Name: 8-(4-amino-1-piperidyl)-2-[5-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]benzimidazol-1-yl]-1H-quinolin-4-one CAS Name: 8-(4-amino-1-piperidinyl)-2-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-1-benzimidazolyl]-1H-quinolin-4-one IUPAC Name: 8-(4-aminopiperidin-1-yl)-2-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]benzimidazol-1-yl]-1H-quinolin-4-one Traditional Name: 8-(4-aminopiperidino)-2-[5-(3-hydroxy-2-methyl-2-methylol-propoxy)benzimidazol-1-yl]-4-quinolone Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC1=CC2=C(C=C1)N(C=N2)C3=CC(=O)C4=C(N3)C(=CC=C4)N5CCC(CC5)N

Isomeric SMILES

CC(CO)(CO)COC1=CC2=C(C=C1)N(C=N2)C3=CC(=O)C4=C(N3)C(=CC=C4)N5CCC(CC5)N

InChI

InChI=1S/C26H31N5O4/c1-26(13-32,14-33)15-35-18-5-6-21-20(11-18)28-16-31(21)24-12-23(34)19-3-2-4-22(25(19)29-24)30-9-7-17(27)8-10-30/h2-6,11-12,16-17,32-33H,7-10,13-15,27H2,1H3,(H,29,34)