4-oxidanylidene-N-[3-[2,2,2-tris(chloranyl)ethanoylamino]propyl]-1H-quinazoline-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-[2,2,2-tris(chloranyl)ethanoylamino]propyl]-1H-quinazoline-2-carboxamide Openeye Name: 4-oxo-N-[3-[(2,2,2-trichloroacetyl)amino]propyl]-1H-quinazoline-2-carboxamide CAS Name: 4-oxo-N-[3-[(2,2,2-trichloro-1-oxoethyl)amino]propyl]-1H-quinazoline-2-carboxamide IUPAC Name: 4-oxo-N-[3-[(2,2,2-trichloroacetyl)amino]propyl]-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[(2,2,2-trichloroacetyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C14H13Cl3N4O3 MolecularWeight: 391.63702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C14H13Cl3N4O3/c15-14(16,17)13(24)19-7-3-6-18-12(23)10-20-9-5-2-1-4-8(9)11(22)21-10/h1-2,4-5H,3,6-7H2,(H,18,23)(H,19,24)(H,20,21,22)