4-[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methylamino]-1-imidazol-1-yl-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[6-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)pyridin-3-yl]methylamino]-1-imidazol-1-yl-propyl]benzenecarbonitrile Openeye Name: 4-[3-[[6-(5-chloro-2-oxo-1-pyridyl)-3-pyridyl]methylamino]-1-imidazol-1-yl-propyl]benzonitrile CAS Name: 4-[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methylamino]-1-(1-imidazolyl)propyl]benzonitrile IUPAC Name: 4-[3-[[6-(5-chloro-2-oxopyridin-1-yl)pyridin-3-yl]methylamino]-1-imidazol-1-ylpropyl]benzonitrile Traditional Name: 4-[3-[[6-(5-chloro-2-keto-1-pyridyl)-3-pyridyl]methylamino]-1-imidazol-1-yl-propyl]benzonitrile Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CCNCC2=CN=C(C=C2)N3C=C(C=CC3=O)Cl)N4C=CN=C4

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CCNCC2=CN=C(C=C2)N3C=C(C=CC3=O)Cl)N4C=CN=C4

InChI

InChI=1S/C24H21ClN6O/c25-21-6-8-24(32)31(16-21)23-7-3-19(15-29-23)14-27-10-9-22(30-12-11-28-17-30)20-4-1-18(13-26)2-5-20/h1-8,11-12,15-17,22,27H,9-10,14H2