3-(2-chloranylpyridin-3-yl)-6-fluoranyl-2-[[methyl-(3-pyrrolidin-1-ylphenyl)amino]methyl]quinazolin-4-one

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-6-fluoranyl-2-[[methyl-(3-pyrrolidin-1-ylphenyl)amino]methyl]quinazolin-4-one Openeye Name: 3-(2-chloro-3-pyridyl)-6-fluoro-2-[(N-methyl-3-pyrrolidin-1-yl-anilino)methyl]quinazolin-4-one CAS Name: 3-(2-chloro-3-pyridinyl)-6-fluoro-2-[[N-methyl-3-(1-pyrrolidinyl)anilino]methyl]-4-quinazolinone IUPAC Name: 3-(2-chloropyridin-3-yl)-6-fluoro-2-[(N-methyl-3-pyrrolidin-1-ylanilino)methyl]quinazolin-4-one Traditional Name: 3-(2-chloro-3-pyridyl)-6-fluoro-2-[(N-methyl-3-pyrrolidino-anilino)methyl]quinazolin-4-one Formula: C25H23ClFN5O MolecularWeight: 463.934423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=C(N=CC=C3)Cl)C4=CC=CC(=C4)N5CCCC5

Isomeric SMILES

CN(CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=C(N=CC=C3)Cl)C4=CC=CC(=C4)N5CCCC5

InChI

InChI=1S/C25H23ClFN5O/c1-30(18-6-4-7-19(15-18)31-12-2-3-13-31)16-23-29-21-10-9-17(27)14-20(21)25(33)32(23)22-8-5-11-28-24(22)26/h4-11,14-15H,2-3,12-13,16H2,1H3