1-(1H-benzimidazol-2-ylamino)-3-methyl-1-piperidin-1-yl-1-quinolin-8-yl-butan-2-one

Systemtic Name: 1-(1H-benzimidazol-2-ylamino)-3-methyl-1-piperidin-1-yl-1-quinolin-8-yl-butan-2-one Openeye Name: 1-(1H-benzimidazol-2-ylamino)-3-methyl-1-(1-piperidyl)-1-(8-quinolyl)butan-2-one CAS Name: 1-(1H-benzimidazol-2-ylamino)-3-methyl-1-(1-piperidinyl)-1-(8-quinolinyl)-2-butanone IUPAC Name: 1-(1H-benzimidazol-2-ylamino)-3-methyl-1-piperidin-1-yl-1-quinolin-8-ylbutan-2-one Traditional Name: 1-(1H-benzimidazol-2-ylamino)-3-methyl-1-piperidino-1-(8-quinolyl)butan-2-one Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1=CC=CC2=C1N=CC=C2)(NC3=NC4=CC=CC=C4N3)N5CCCCC5

Isomeric SMILES

CC(C)C(=O)C(C1=CC=CC2=C1N=CC=C2)(NC3=NC4=CC=CC=C4N3)N5CCCCC5

InChI

InChI=1S/C26H29N5O/c1-18(2)24(32)26(31-16-6-3-7-17-31,20-12-8-10-19-11-9-15-27-23(19)20)30-25-28-21-13-4-5-14-22(21)29-25/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H2,28,29,30)