3-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C3=NC4=CC=CC=C4C(=O)N3CCC(=O)O

InChI

InChI=1S/C24H22N4O3/c1-16-19(17(2)28(26-16)18-8-4-3-5-9-18)12-13-22-25-21-11-7-6-10-20(21)24(31)27(22)15-14-23(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)/b13-12+