3-[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H16ClN3O MolecularWeight: 361.82424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C21H16ClN3O/c22-19-10-7-16(8-11-19)20(26)12-9-18-15-25(14-4-13-23)24-21(18)17-5-2-1-3-6-17/h1-3,5-12,15H,4,14H2/b12-9+