5-[2-(4-ethanoylpiperazin-2-yl)ethoxy]-6-fluoranyl-N-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: 5-[2-(4-ethanoylpiperazin-2-yl)ethoxy]-6-fluoranyl-N-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: 5-[2-(4-acetylpiperazin-2-yl)ethoxy]-6-fluoro-N-[(4-fluoro-3-methoxy-phenyl)methyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: 5-[2-(4-acetyl-2-piperazinyl)ethoxy]-6-fluoro-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: 5-[2-(4-acetylpiperazin-2-yl)ethoxy]-6-fluoro-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 5-[2-(4-acetylpiperazin-2-yl)ethoxy]-6-fluoro-N-(4-fluoro-3-methoxy-benzyl)-4-keto-1H-quinazoline-2-carboxamide Formula: C25H27F2N5O5 MolecularWeight: 515.509186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCNC(C1)CCOC2=C(C=CC3=C2C(=O)N=C(N3)C(=O)NCC4=CC(=C(C=C4)F)OC)F

Isomeric SMILES

CC(=O)N1CCNC(C1)CCOC2=C(C=CC3=C2C(=O)N=C(N3)C(=O)NCC4=CC(=C(C=C4)F)OC)F

InChI

InChI=1S/C25H27F2N5O5/c1-14(33)32-9-8-28-16(13-32)7-10-37-22-18(27)5-6-19-21(22)24(34)31-23(30-19)25(35)29-12-15-3-4-17(26)20(11-15)36-2/h3-6,11,16,28H,7-10,12-13H2,1-2H3,(H,29,35)(H,30,31,34)