3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile hydrochloride

Systemtic Name: 3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile hydrochloride Openeye Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile hydrochloride CAS Name: 3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile hydrochloride IUPAC Name: 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile hydrochloride Traditional Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile hydrochloride Formula: C21H17Cl2N5O MolecularWeight: 426.29858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C(C#N)C2=NC3=CC=CC=C3N2C)Cl)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)C(C#N)C2=NC3=CC=CC=C3N2C)Cl)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H16ClN5O.ClH/c1-13-18(20(22)27(25-13)14-8-4-3-5-9-14)19(28)15(12-23)21-24-16-10-6-7-11-17(16)26(21)2;/h3-11,15H,1-2H3;1H