2-[[3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[3-(3,4-dichlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[3-(3,4-dichlorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]ethyl]-methyl-ammonium Formula: C25H25Cl2N4O3+ MolecularWeight: 500.397

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=C(C=C3)Cl)Cl)O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1(C2=CC=CC=C2NC(=O)N1C3=CC(=C(C=C3)Cl)Cl)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24Cl2N4O3/c1-30(16-17-7-3-2-4-8-17)14-13-28-23(32)25(34)19-9-5-6-10-22(19)29-24(33)31(25)18-11-12-20(26)21(27)15-18/h2-12,15,34H,13-14,16H2,1H3,(H,28,32)(H,29,33)/p+1