3-[(2S)-2-azanyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzenecarbonitrile

Systemtic Name: 3-[(2S)-2-azanyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzenecarbonitrile Openeye Name: 3-[(2S)-2-amino-2-[6-(4-pyridyl)-1H-benzimidazol-2-yl]ethyl]benzonitrile CAS Name: 3-[(2S)-2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile IUPAC Name: 3-[(2S)-2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile Traditional Name: 3-[(2S)-2-amino-2-[6-(4-pyridyl)-1H-benzimidazol-2-yl]ethyl]benzonitrile Formula: C21H17N5 MolecularWeight: 339.39318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C2=NC3=C(N2)C=C(C=C3)C4=CC=NC=C4)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C[C@@H](C2=NC3=C(N2)C=C(C=C3)C4=CC=NC=C4)N)C#N

InChI

InChI=1S/C21H17N5/c22-13-15-3-1-2-14(10-15)11-18(23)21-25-19-5-4-17(12-20(19)26-21)16-6-8-24-9-7-16/h1-10,12,18H,11,23H2,(H,25,26)/t18-/m0/s1