3-[4-[(E)-3-(2,4-dichlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-(2,4-dichlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(2,4-dichlorophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(2,4-dichlorophenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H15Cl2N3O MolecularWeight: 396.2693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2N3O/c22-17-8-9-18(19(23)13-17)20(27)10-7-16-14-26(12-4-11-24)25-21(16)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,12H2/b10-7+