2-[5-chloranyl-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]ethanenitrile Openeye Name: 2-[5-chloro-1-[4-(3-isobutylphenyl)phenyl]pyrazol-4-yl]acetonitrile CAS Name: 2-[5-chloro-1-[4-[3-(2-methylpropyl)phenyl]phenyl]-4-pyrazolyl]acetonitrile IUPAC Name: 2-[5-chloro-1-[4-[3-(2-methylpropyl)phenyl]phenyl]pyrazol-4-yl]acetonitrile Traditional Name: 2-[5-chloro-1-[4-(3-isobutylphenyl)phenyl]pyrazol-4-yl]acetonitrile Formula: C21H20ClN3 MolecularWeight: 349.8566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Cl

Isomeric SMILES

CC(C)CC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Cl

InChI

InChI=1S/C21H20ClN3/c1-15(2)12-16-4-3-5-18(13-16)17-6-8-20(9-7-17)25-21(22)19(10-11-23)14-24-25/h3-9,13-15H,10,12H2,1-2H3