4-[[5-[[[(3R)-2-oxidanylidene-1-quinolin-5-yl-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[(3R)-2-oxidanylidene-1-quinolin-5-yl-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3R)-2-oxo-1-(5-quinolyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3R)-2-oxo-1-(5-quinolinyl)-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3R)-2-oxo-1-quinolin-5-ylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3R)-2-keto-1-(5-quinolyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1CN(C(=O)[C@@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C25H22N6O/c26-13-18-6-8-19(9-7-18)16-30-17-27-14-20(30)15-29-23-10-12-31(25(23)32)24-5-1-4-22-21(24)3-2-11-28-22/h1-9,11,14,17,23,29H,10,12,15-16H2/t23-/m1/s1