N-[3-[2-(3,5-dimethylphenoxy)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(3,5-dimethylphenoxy)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H24N4O4/c1-14-10-15(2)12-16(11-14)30-13-19(27)23-8-5-9-24-22(29)20-25-18-7-4-3-6-17(18)21(28)26-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,27)(H,24,29)(H,25,26,28)