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

Systemtic Name: 4-fluoranyl-N-[4-[[[7-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide Openeye Name: 4-fluoro-N-[4-[[[7-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide CAS Name: 4-fluoro-N-[4-[[[7-methyl-2-(4-methyl-1-piperazinyl)-4-quinazolinyl]amino]methyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[4-[[[7-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide Traditional Name: 4-fluoro-N-[4-[[[7-methyl-2-(4-methylpiperazino)quinazolin-4-yl]amino]methyl]phenyl]benzamide Formula: C28H29FN6O MolecularWeight: 484.567863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCN(CC3)C)NCC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCN(CC3)C)NCC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H29FN6O/c1-19-3-12-24-25(17-19)32-28(35-15-13-34(2)14-16-35)33-26(24)30-18-20-4-10-23(11-5-20)31-27(36)21-6-8-22(29)9-7-21/h3-12,17H,13-16,18H2,1-2H3,(H,31,36)(H,30,32,33)