3-[5-chloranyl-4-(hydroxymethyl)-3-propyl-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-chloranyl-4-(hydroxymethyl)-3-propyl-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-chloro-4-(hydroxymethyl)-3-propyl-pyrazol-1-yl]benzonitrile CAS Name: 3-[5-chloro-4-(hydroxymethyl)-3-propyl-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-chloro-4-(hydroxymethyl)-3-propylpyrazol-1-yl]benzonitrile Traditional Name: 3-(5-chloro-4-methylol-3-propyl-pyrazol-1-yl)benzonitrile Formula: C14H14ClN3O MolecularWeight: 275.73346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CO)Cl)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=NN(C(=C1CO)Cl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H14ClN3O/c1-2-4-13-12(9-19)14(15)18(17-13)11-6-3-5-10(7-11)8-16/h3,5-7,19H,2,4,9H2,1H3