ethyl 2-[5-(6-chloranyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)-1-methyl-pyrazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[5-(6-chloranyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)-1-methyl-pyrazol-4-yl]ethanoate Openeye Name: ethyl 2-[5-(6-chloro-4-oxo-2-phenyl-quinazolin-3-yl)-1-methyl-pyrazol-4-yl]acetate CAS Name: 2-[5-(6-chloro-4-oxo-2-phenyl-3-quinazolinyl)-1-methyl-4-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(6-chloro-4-oxo-2-phenylquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate Traditional Name: 2-[5-(6-chloro-4-keto-2-phenyl-quinazolin-3-yl)-1-methyl-pyrazol-4-yl]acetic acid ethyl ester Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(N(N=C1)C)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O3/c1-3-30-19(28)11-15-13-24-26(2)21(15)27-20(14-7-5-4-6-8-14)25-18-10-9-16(23)12-17(18)22(27)29/h4-10,12-13H,3,11H2,1-2H3