[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(3-fluoro-4-methyl-phenyl)methanone Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)F

InChI

InChI=1S/C21H22FN5O/c1-14-6-7-15(12-17(14)22)21(28)27-10-8-26(9-11-27)13-19-24-18-5-3-2-4-16(18)20(23)25-19/h2-7,12H,8-11,13H2,1H3,(H2,23,24,25)