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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)Cl

InChI

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