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

Systemtic Name: 4-[[5-[[[(3S)-2-oxidanylidene-1-pyridin-2-yl-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3S)-2-oxo-1-(2-pyridyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3S)-2-oxo-1-(2-pyridinyl)-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3S)-2-oxo-1-pyridin-2-ylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3S)-2-keto-1-(2-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=CC=CC=N4

Isomeric SMILES

C1CN(C(=O)[C@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC=N4

InChI

InChI=1S/C21H20N6O/c22-11-16-4-6-17(7-5-16)14-26-15-23-12-18(26)13-25-19-8-10-27(21(19)28)20-3-1-2-9-24-20/h1-7,9,12,15,19,25H,8,10,13-14H2/t19-/m0/s1