methyl 5-[[7-chloranyl-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[7-chloranyl-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methylamino]-5-oxo-pentanoate CAS Name: 5-[[7-chloro-4-[(4-fluorophenyl)methylamino]-2-quinazolinyl]methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methylamino]-5-oxopentanoate Traditional Name: 5-[[7-chloro-4-[(4-fluorobenzyl)amino]quinazolin-2-yl]methylamino]-5-keto-valeric acid methyl ester Formula: C22H22ClFN4O3 MolecularWeight: 444.886483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NCC1=NC2=C(C=CC(=C2)Cl)C(=N1)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCCC(=O)NCC1=NC2=C(C=CC(=C2)Cl)C(=N1)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22ClFN4O3/c1-31-21(30)4-2-3-20(29)25-13-19-27-18-11-15(23)7-10-17(18)22(28-19)26-12-14-5-8-16(24)9-6-14/h5-11H,2-4,12-13H2,1H3,(H,25,29)(H,26,27,28)