2-(1H-benzimidazol-2-ylamino)-4-methyl-2-piperidin-1-yl-1-quinolin-2-yl-pentan-3-one

Systemtic Name: 2-(1H-benzimidazol-2-ylamino)-4-methyl-2-piperidin-1-yl-1-quinolin-2-yl-pentan-3-one Openeye Name: 2-(1H-benzimidazol-2-ylamino)-4-methyl-2-(1-piperidyl)-1-(2-quinolyl)pentan-3-one CAS Name: 2-(1H-benzimidazol-2-ylamino)-4-methyl-2-(1-piperidinyl)-1-(2-quinolinyl)-3-pentanone IUPAC Name: 2-(1H-benzimidazol-2-ylamino)-4-methyl-2-piperidin-1-yl-1-quinolin-2-ylpentan-3-one Traditional Name: 2-(1H-benzimidazol-2-ylamino)-4-methyl-2-piperidino-1-(2-quinolyl)pentan-3-one Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CC1=NC2=CC=CC=C2C=C1)(NC3=NC4=CC=CC=C4N3)N5CCCCC5

Isomeric SMILES

CC(C)C(=O)C(CC1=NC2=CC=CC=C2C=C1)(NC3=NC4=CC=CC=C4N3)N5CCCCC5

InChI

InChI=1S/C27H31N5O/c1-19(2)25(33)27(32-16-8-3-9-17-32,31-26-29-23-12-6-7-13-24(23)30-26)18-21-15-14-20-10-4-5-11-22(20)28-21/h4-7,10-15,19H,3,8-9,16-18H2,1-2H3,(H2,29,30,31)