6-fluoranyl-3-(2-methylpyridin-3-yl)-2-[[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]methyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-(2-methylpyridin-3-yl)-2-[[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]methyl]quinazolin-4-one Openeye Name: 6-fluoro-3-(2-methyl-3-pyridyl)-2-[[3-(pyrrolidin-1-ylmethyl)anilino]methyl]quinazolin-4-one CAS Name: 6-fluoro-3-(2-methyl-3-pyridinyl)-2-[[3-(1-pyrrolidinylmethyl)anilino]methyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-(2-methylpyridin-3-yl)-2-[[3-(pyrrolidin-1-ylmethyl)anilino]methyl]quinazolin-4-one Traditional Name: 6-fluoro-3-(2-methyl-3-pyridyl)-2-[[3-(pyrrolidinomethyl)anilino]methyl]quinazolin-4-one Formula: C26H26FN5O MolecularWeight: 443.515943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=CC=CC(=C4)CN5CCCC5

Isomeric SMILES

CC1=C(C=CC=N1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=CC=CC(=C4)CN5CCCC5

InChI

InChI=1S/C26H26FN5O/c1-18-24(8-5-11-28-18)32-25(30-23-10-9-20(27)15-22(23)26(32)33)16-29-21-7-4-6-19(14-21)17-31-12-2-3-13-31/h4-11,14-15,29H,2-3,12-13,16-17H2,1H3