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

Systemtic Name: 7-chloranyl-2-[[[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]-propyl-azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[[2-oxo-2-(4-phenylanilino)ethyl]-propyl-ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[2-oxo-2-(4-phenylanilino)ethyl]-propylammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[[2-oxo-2-(4-phenylanilino)ethyl]-propylazaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[2-keto-2-(4-phenylanilino)ethyl]-propyl-ammonio]methyl]quinazolin-4-olate Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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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)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25ClN4O2/c1-2-14-31(16-24-29-23-15-20(27)10-13-22(23)26(33)30-24)17-25(32)28-21-11-8-19(9-12-21)18-6-4-3-5-7-18/h3-13,15H,2,14,16-17H2,1H3,(H,28,32)(H,29,30,33)