2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-ethenyl]-6,8-dimethyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-ethenyl]-6,8-dimethyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-vinyl]-6,8-dimethyl-quinazolin-4-olate CAS Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-cyanoethenyl]-6,8-dimethyl-4-quinazolinolate IUPAC Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-cyanoethenyl]-6,8-dimethylquinazolin-4-olate Traditional Name: 2-[(E)-2-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-cyano-vinyl]-6,8-dimethyl-quinazolin-4-olate Formula: C23H17ClN5O- MolecularWeight: 414.86698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C#N)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)/C(=C/C3=C(N(N=C3C)C4=CC=CC=C4)Cl)/C#N)[O-])C

InChI

InChI=1S/C23H18ClN5O/c1-13-9-14(2)20-19(10-13)23(30)27-22(26-20)16(12-25)11-18-15(3)28-29(21(18)24)17-7-5-4-6-8-17/h4-11H,1-3H3,(H,26,27,30)/p-1/b16-11+