methyl 2-[(Z)-1-chloranyl-2-[1-(phenylmethyl)pyrazol-4-yl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(Z)-1-chloranyl-2-[1-(phenylmethyl)pyrazol-4-yl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(Z)-2-(1-benzylpyrazol-4-yl)-1-chloro-vinyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(Z)-1-chloro-2-[1-(phenylmethyl)-4-pyrazolyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-2-(1-benzylpyrazol-4-yl)-1-chloroethenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(Z)-2-(1-benzylpyrazol-4-yl)-1-chloro-vinyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C(=CC3=CN(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)/C(=C/C3=CN(N=C3)CC4=CC=CC=C4)/Cl

InChI

InChI=1S/C22H17ClN4O3/c1-30-22(29)16-7-8-17-19(10-16)25-20(26-21(17)28)18(23)9-15-11-24-27(13-15)12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,25,26,28)/b18-9-