N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-3-fluoro-4-methyl-benzamide Formula: C25H30FN5O MolecularWeight: 435.537003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C)F

InChI

InChI=1S/C25H30FN5O/c1-16-8-11-18(14-21(16)26)24(32)27-15-17-9-12-19(13-10-17)28-25-29-22-7-5-4-6-20(22)23(30-25)31(2)3/h4-8,11,14,17,19H,9-10,12-13,15H2,1-3H3,(H,27,32)(H,28,29,30)