3-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: 3-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: 3-[2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(E)-2-(1-methyl-4-pyrazolyl)ethenyl]-4-oxo-3-quinazolinyl]propanoate IUPAC Name: 3-[2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]quinazolin-3-yl]propionate Formula: C17H15N4O3- MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)[O-]

InChI

InChI=1S/C17H16N4O3/c1-20-11-12(10-18-20)6-7-15-19-14-5-3-2-4-13(14)17(24)21(15)9-8-16(22)23/h2-7,10-11H,8-9H2,1H3,(H,22,23)/p-1/b7-6+