[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(5-chloranyl-2-fluoranyl-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(5-chloranyl-2-fluoranyl-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluoro-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(5-chloro-2-fluorophenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-chloro-2-fluorophenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(5-chloro-2-fluoro-phenyl)methanone Formula: C20H19ClFN5O MolecularWeight: 399.849163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C20H19ClFN5O/c21-13-5-6-16(22)15(11-13)20(28)27-9-7-26(8-10-27)12-18-24-17-4-2-1-3-14(17)19(23)25-18/h1-6,11H,7-10,12H2,(H2,23,24,25)