7-chloranyl-2-[[[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-(2-ethoxyanilino)-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[2-keto-2-(o-phenetidino)ethyl]ammonio]methyl]quinazolin-4-olate Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H23ClN4O3/c1-3-26(13-20(27)24-16-7-5-6-8-18(16)29-4-2)12-19-23-17-11-14(22)9-10-15(17)21(28)25-19/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)(H,23,25,28)