methyl 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=C(C=CC=C3Cl)F)C4CC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3=C(C=CC=C3Cl)F)C4CC4

InChI

InChI=1S/C21H19ClFN3O3/c1-29-21(28)12-5-8-14-18(9-12)24-19(25-20(14)27)11-26(13-6-7-13)10-15-16(22)3-2-4-17(15)23/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,24,25,27)