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

Systemtic Name: 4-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C28H22N4O3 MolecularWeight: 462.49928

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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)N3C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H22N4O3/c1-18-23(19(2)32(30-18)22-8-4-3-5-9-22)16-17-26-29-25-11-7-6-10-24(25)27(33)31(26)21-14-12-20(13-15-21)28(34)35/h3-17H,1-2H3,(H,34,35)/b17-16+