7-chloranyl-2-[[[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-ethyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-ethyl-ammonio]methyl]quinazolin-4-olate Formula: C20H20Cl2N4O2 MolecularWeight: 419.3044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20Cl2N4O2/c1-2-26(12-19(27)23-10-13-3-5-14(21)6-4-13)11-18-24-17-9-15(22)7-8-16(17)20(28)25-18/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,25,28)