7-chloranyl-2-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C20H18Cl2N4O2 MolecularWeight: 417.28852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H18Cl2N4O2/c21-13-5-6-15-17(11-13)23-18(24-19(15)27)12-25-7-9-26(10-8-25)20(28)14-3-1-2-4-16(14)22/h1-6,11H,7-10,12H2,(H,23,24,27)