4-fluoranyl-N-[4-[[(6-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[4-[[(6-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide Openeye Name: 4-fluoro-N-[4-[[(6-methyl-2-piperazin-1-yl-quinazolin-4-yl)amino]methyl]phenyl]benzamide CAS Name: 4-fluoro-N-[4-[[[6-methyl-2-(1-piperazinyl)-4-quinazolinyl]amino]methyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[4-[[(6-methyl-2-piperazin-1-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide Traditional Name: 4-fluoro-N-[4-[[(6-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)N=C(N=C2NCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)N5CCNCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F)N5CCNCC5

InChI

InChI=1S/C27H27FN6O/c1-18-2-11-24-23(16-18)25(33-27(32-24)34-14-12-29-13-15-34)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)