2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-ethenyl]-6-methyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-ethenyl]-6-methyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-vinyl]-6-methyl-quinazolin-4-olate CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-cyanoethenyl]-6-methyl-4-quinazolinolate IUPAC Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-cyanoethenyl]-6-methylquinazolin-4-olate Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-vinyl]-6-methyl-quinazolin-4-olate Formula: C22H15ClN5O- MolecularWeight: 400.8404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2[O-])C(=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2[O-])/C(=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)/C#N

InChI

InChI=1S/C22H16ClN5O/c1-13-8-9-19-18(10-13)22(29)26-21(25-19)15(12-24)11-17-14(2)27-28(20(17)23)16-6-4-3-5-7-16/h3-11H,1-2H3,(H,25,26,29)/p-1/b15-11+