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

Systemtic Name: 3-[4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(4-morpholinophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-[4-(4-morpholinyl)phenyl]-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-keto-3-(4-morpholinophenyl)prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C25H24N4O2/c26-13-4-14-29-19-22(25(27-29)21-5-2-1-3-6-21)9-12-24(30)20-7-10-23(11-8-20)28-15-17-31-18-16-28/h1-3,5-12,19H,4,14-18H2/b12-9+