2-[5-chloranyl-1-[4-(2-methylpropyl)phenyl]pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-1-[4-(2-methylpropyl)phenyl]pyrazol-4-yl]ethanenitrile Openeye Name: 2-[5-chloro-1-(4-isobutylphenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[5-chloro-1-[4-(2-methylpropyl)phenyl]-4-pyrazolyl]acetonitrile IUPAC Name: 2-[5-chloro-1-[4-(2-methylpropyl)phenyl]pyrazol-4-yl]acetonitrile Traditional Name: 2-[5-chloro-1-(4-isobutylphenyl)pyrazol-4-yl]acetonitrile Formula: C15H16ClN3 MolecularWeight: 273.76064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)N2C(=C(C=N2)CC#N)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)N2C(=C(C=N2)CC#N)Cl

InChI

InChI=1S/C15H16ClN3/c1-11(2)9-12-3-5-14(6-4-12)19-15(16)13(7-8-17)10-18-19/h3-6,10-11H,7,9H2,1-2H3