methyl 4-[1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoate

Systemtic Name: methyl 4-[1-[8-(4-azanylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoate Openeye Name: methyl 4-[1-[8-(4-amino-1-piperidyl)-2-quinolyl]benzimidazol-5-yl]benzoate CAS Name: 4-[1-[8-(4-amino-1-piperidinyl)-2-quinolinyl]-5-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]benzoate Traditional Name: 4-[1-[8-(4-aminopiperidino)-2-quinolyl]benzimidazol-5-yl]benzoic acid methyl ester Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4

InChI

InChI=1S/C29H27N5O2/c1-36-29(35)21-7-5-19(6-8-21)22-9-11-25-24(17-22)31-18-34(25)27-12-10-20-3-2-4-26(28(20)32-27)33-15-13-23(30)14-16-33/h2-12,17-18,23H,13-16,30H2,1H3