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

Systemtic Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloranyl-pyrazol-4-yl]ethanenitrile Openeye Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-pyrazol-4-yl]acetonitrile CAS Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-4-pyrazolyl]acetonitrile IUPAC Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloropyrazol-4-yl]acetonitrile Traditional Name: 2-[1-[4-(3-butoxyphenyl)phenyl]-5-chloro-pyrazol-4-yl]acetonitrile Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=CC=C(C=C2)N3C(=C(C=N3)CC#N)Cl

InChI

InChI=1S/C21H20ClN3O/c1-2-3-13-26-20-6-4-5-17(14-20)16-7-9-19(10-8-16)25-21(22)18(11-12-23)15-24-25/h4-10,14-15H,2-3,11,13H2,1H3