N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-hexahydropyrimidin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[4-(2-keto-3-piperonyl-hexahydropyrimidin-1-yl)phenyl]benzamide Formula: C25H22FN3O4 MolecularWeight: 447.458283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22FN3O4/c26-19-4-1-3-18(14-19)24(30)27-20-6-8-21(9-7-20)29-12-2-11-28(25(29)31)15-17-5-10-22-23(13-17)33-16-32-22/h1,3-10,13-14H,2,11-12,15-16H2,(H,27,30)