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

Systemtic Name: 2-[[3-(4-chlorophenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[[3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-(4-chlorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[3-(4-chlorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]ethyl]-methyl-ammonium Formula: C25H26ClN4O3+ MolecularWeight: 465.95194

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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)O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O3/c1-29(17-18-7-3-2-4-8-18)16-15-27-23(31)25(33)21-9-5-6-10-22(21)28-24(32)30(25)20-13-11-19(26)12-14-20/h2-14,33H,15-17H2,1H3,(H,27,31)(H,28,32)/p+1