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

Systemtic Name: (2S)-2-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]-2-(1-methylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile CAS Name: (2S)-2-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-2-(1-methyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2S)-2-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Traditional Name: (2S)-2-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile Formula: C21H16ClN5O MolecularWeight: 389.83764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5O/c1-26-18-10-6-5-9-17(18)25-20(26)15(11-23)16-12-24-27(21(28)19(16)22)13-14-7-3-2-4-8-14/h2-10,12,15H,13H2,1H3/t15-/m1/s1