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

Systemtic Name: butyl-[2-oxidanylidene-2-(phenylcarbamoylamino)ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-oxo-2-(phenylcarbamoylamino)ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[[anilino(oxo)methyl]amino]-2-oxoethyl]-butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-oxo-2-(phenylcarbamoylamino)ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-keto-2-(phenylcarbamoylamino)ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-2-3-13-27(14-19-24-18-12-8-7-11-17(18)21(29)25-19)15-20(28)26-22(30)23-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,24,25,29)(H2,23,26,28,30)/p+1