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

Systemtic Name: 3-[[7-chloranyl-2-(4-fluorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[[7-chloro-2-(4-fluorophenyl)-4-quinazolinyl]amino]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[7-chloro-2-(4-fluorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazino)propan-1-one Formula: C23H25ClFN5O MolecularWeight: 441.928903

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCNC2=NC(=NC3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25ClFN5O/c1-2-29-11-13-30(14-12-29)21(31)9-10-26-23-19-8-5-17(24)15-20(19)27-22(28-23)16-3-6-18(25)7-4-16/h3-8,15H,2,9-14H2,1H3,(H,26,27,28)