[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-butyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H27N5O3/c1-3-4-13-28(14-21-26-20-8-6-5-7-19(20)23(31)27-21)15-22(30)25-18-11-9-17(10-12-18)24-16(2)29/h5-12H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,30)(H,26,27,31)/p+1