3-methyl-1-[4-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butan-2-one

Systemtic Name: 3-methyl-1-[4-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butan-2-one Openeye Name: 3-methyl-1-[4-[[1-(8-quinolylmethyl)benzimidazol-2-yl]amino]-1-piperidyl]butan-2-one CAS Name: 3-methyl-1-[4-[[1-(8-quinolinylmethyl)-2-benzimidazolyl]amino]-1-piperidinyl]-2-butanone IUPAC Name: 3-methyl-1-[4-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butan-2-one Traditional Name: 3-methyl-1-[4-[[1-(8-quinolylmethyl)benzimidazol-2-yl]amino]piperidino]butan-2-one Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)C(=O)CN1CCC(CC1)NC2=NC3=CC=CC=C3N2CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H31N5O/c1-19(2)25(33)18-31-15-12-22(13-16-31)29-27-30-23-10-3-4-11-24(23)32(27)17-21-8-5-7-20-9-6-14-28-26(20)21/h3-11,14,19,22H,12-13,15-18H2,1-2H3,(H,29,30)