4-fluoranyl-N-[4-[[(7-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-[[(7-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide Openeye Name: 4-fluoro-N-[4-[[(7-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide CAS Name: 4-fluoro-N-[4-[[[7-methyl-2-(1-piperazinyl)-4-quinazolinyl]amino]methyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[4-[[(7-methyl-2-piperazin-1-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide Traditional Name: 4-fluoro-N-[4-[[(7-methyl-2-piperazino-quinazolin-4-yl)amino]methyl]phenyl]benzamide Formula: C27H27FN6O MolecularWeight: 470.541283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCNCC3)NCC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCNCC3)NCC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN6O/c1-18-2-11-23-24(16-18)32-27(34-14-12-29-13-15-34)33-25(23)30-17-19-3-9-22(10-4-19)31-26(35)20-5-7-21(28)8-6-20/h2-11,16,29H,12-15,17H2,1H3,(H,31,35)(H,30,32,33)