7-chloranyl-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCCOC3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCCOC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H27ClN4O4/c1-3-28(14-21-26-20-13-16(24)5-10-19(20)23(30)27-21)15-22(29)25-11-12-32-18-8-6-17(7-9-18)31-4-2/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,25,29)(H,26,27,30)