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

Systemtic Name: N-[3-[2-(4-methoxyphenyl)ethanoylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[[2-(4-methoxyphenyl)acetyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22N4O4/c1-29-15-9-7-14(8-10-15)13-18(26)22-11-4-12-23-21(28)19-24-17-6-3-2-5-16(17)20(27)25-19/h2-3,5-10H,4,11-13H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)