6-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one

Systemtic Name: 6-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Openeye Name: 6-(3-chloro-4-fluoro-phenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one CAS Name: 6-(3-chloro-4-fluorophenyl)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-4-quinazolinone IUPAC Name: 6-(3-chloro-4-fluorophenyl)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one Traditional Name: 6-(3-chloro-4-fluoro-phenyl)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]quinazolin-4-one Formula: C23H25ClFN3O MolecularWeight: 413.915503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1)CN2C=NC3=C(C2=O)C=C(C=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(C)N1CCC[C@@H](C1)CN2C=NC3=C(C2=O)C=C(C=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H25ClFN3O/c1-15(2)27-9-3-4-16(12-27)13-28-14-26-22-8-6-17(10-19(22)23(28)29)18-5-7-21(25)20(24)11-18/h5-8,10-11,14-16H,3-4,9,12-13H2,1-2H3/t16-/m0/s1