(2R)-2-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]-2-(1-ethylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2R)-2-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]-2-(1-ethylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2R)-2-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile CAS Name: (2R)-2-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-2-(1-ethyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2R)-2-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Traditional Name: (2R)-2-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[C@@H](C#N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5O/c1-2-27-19-11-7-6-10-18(19)26-21(27)16(12-24)17-13-25-28(22(29)20(17)23)14-15-8-4-3-5-9-15/h3-11,13,16H,2,14H2,1H3/t16-/m0/s1