2-methyl-3-[4-(3-pyrrolidin-1-ylbutoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-(3-pyrrolidin-1-ylbutoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one Openeye Name: 2-methyl-3-[4-(3-pyrrolidin-1-ylbutoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one CAS Name: 2-methyl-3-[4-[3-(1-pyrrolidinyl)butoxy]phenyl]-5-(trifluoromethyl)-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(3-pyrrolidin-1-ylbutoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one Traditional Name: 2-methyl-3-[4-(3-pyrrolidinobutoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one Formula: C24H26F3N3O2 MolecularWeight: 445.47735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OCCC(C)N4CCCC4)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OCCC(C)N4CCCC4)C(F)(F)F

InChI

InChI=1S/C24H26F3N3O2/c1-16(29-13-3-4-14-29)12-15-32-19-10-8-18(9-11-19)30-17(2)28-21-7-5-6-20(24(25,26)27)22(21)23(30)31/h5-11,16H,3-4,12-15H2,1-2H3