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

Systemtic Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]-4-chloranyl-benzamide Openeye Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-hexahydropyrimidin-1-yl]phenyl]-4-chloro-benzamide CAS Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]-4-chlorobenzamide IUPAC Name: N-[4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,3-diazinan-1-yl]phenyl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[4-(2-keto-3-piperonyl-hexahydropyrimidin-1-yl)phenyl]benzamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O4/c26-19-5-3-18(4-6-19)24(30)27-20-7-9-21(10-8-20)29-13-1-12-28(25(29)31)15-17-2-11-22-23(14-17)33-16-32-22/h2-11,14H,1,12-13,15-16H2,(H,27,30)