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

Systemtic Name: 3-[2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C23H19ClN4O3 MolecularWeight: 434.87496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H19ClN4O3/c1-15-17(22(24)28(26-15)16-7-3-2-4-8-16)11-12-20-25-19-10-6-5-9-18(19)23(31)27(20)14-13-21(29)30/h2-12H,13-14H2,1H3,(H,29,30)/b12-11+