3-[(7-chloranyl-2-phenyl-quinazolin-4-yl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(7-chloranyl-2-phenyl-quinazolin-4-yl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(7-chloro-2-phenyl-quinazolin-4-yl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(7-chloro-2-phenyl-4-quinazolinyl)amino]-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(7-chloro-2-phenylquinazolin-4-yl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(7-chloro-2-phenyl-quinazolin-4-yl)amino]-1-[4-(2-fluorophenyl)piperazino]propan-1-one Formula: C27H25ClFN5O MolecularWeight: 489.971703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCNC3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCNC3=NC(=NC4=C3C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClFN5O/c28-20-10-11-21-23(18-20)31-26(19-6-2-1-3-7-19)32-27(21)30-13-12-25(35)34-16-14-33(15-17-34)24-9-5-4-8-22(24)29/h1-11,18H,12-17H2,(H,30,31,32)