3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-[1-(2-chlorobenzyl)pyrazol-4-yl]-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C21H16ClN5O MolecularWeight: 389.83764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

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