2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-1,3-diazinan-4-yl]phenol

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-1,3-diazinan-4-yl]phenol Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)hexahydropyrimidin-4-yl]phenol CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-1,3-diazinan-4-yl]phenol IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-1,3-diazinan-4-yl]phenol Traditional Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)hexahydropyrimidin-4-yl]phenol Formula: C23H21FN2O3 MolecularWeight: 392.422843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1C2=CC=CC=C2O)C3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(NC(NC1C2=CC=CC=C2O)C3=CC(=CC=C3)F)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21FN2O3/c24-16-5-3-4-15(10-16)23-25-18(14-8-9-21-22(11-14)29-13-28-21)12-19(26-23)17-6-1-2-7-20(17)27/h1-11,18-19,23,25-27H,12-13H2