(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H18N4O2 MolecularWeight: 394.42532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C=CC2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O2/c1-17-21(15-25)22(28(27-17)20-10-3-2-4-11-20)16-30-23(29)13-12-19-8-5-7-18-9-6-14-26-24(18)19/h2-14H,16H2,1H3/b13-12+