3-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]carbonyl]-4-phenyl-isochromen-1-one

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]carbonyl]-4-phenyl-isochromen-1-one Openeye Name: 3-[3-[(4-fluorophenyl)methyl]hexahydropyrimidine-1-carbonyl]-4-phenyl-isochromen-1-one CAS Name: 3-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-[3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl]-4-phenylisochromen-1-one Traditional Name: 3-[3-(4-fluorobenzyl)hexahydropyrimidine-1-carbonyl]-4-phenyl-isocoumarin Formula: C27H23FN2O3 MolecularWeight: 442.481523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN(C1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CN(C1)C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN2O3/c28-21-13-11-19(12-14-21)17-29-15-6-16-30(18-29)26(31)25-24(20-7-2-1-3-8-20)22-9-4-5-10-23(22)27(32)33-25/h1-5,7-14H,6,15-18H2