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

Systemtic Name: 4-[[5-[[[(3R)-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3R)-2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3R)-2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3R)-2-oxo-1-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3R)-2-keto-1-(3-pyridyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O/c22-10-16-3-5-17(6-4-16)14-26-15-24-12-19(26)13-25-20-7-9-27(21(20)28)18-2-1-8-23-11-18/h1-6,8,11-12,15,20,25H,7,9,13-14H2/t20-/m1/s1