2-[[2-[(3R)-3-azanylcyclohexyl]-5-methyl-4-oxidanylidene-imidazo[4,5-c]quinolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylcyclohexyl]-5-methyl-4-oxidanylidene-imidazo[4,5-c]quinolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-methyl-4-oxo-imidazo[4,5-c]quinolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-methyl-4-oxo-3-imidazo[4,5-c]quinolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminocyclohexyl]-5-methyl-4-oxoimidazo[4,5-c]quinolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminocyclohexyl]-4-keto-5-methyl-imidazo[4,5-c]quinolin-3-yl]methyl]benzonitrile Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C(C1=O)N(C(=N3)C4CCCC(C4)N)CC5=CC=CC=C5C#N

Isomeric SMILES

CN1C2=CC=CC=C2C3=C(C1=O)N(C(=N3)C4CCC[C@H](C4)N)CC5=CC=CC=C5C#N

InChI

InChI=1S/C25H25N5O/c1-29-21-12-5-4-11-20(21)22-23(25(29)31)30(15-18-8-3-2-7-17(18)14-26)24(28-22)16-9-6-10-19(27)13-16/h2-5,7-8,11-12,16,19H,6,9-10,13,15,27H2,1H3/t16?,19-/m1/s1