N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(3-chlorophenyl)-2,4-dioxo-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(3-chlorophenyl)-2,4-dioxo-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-chlorophenyl)-2,4-diketo-N-piperonyl-pyrimidine-5-carboxamide Formula: C23H22ClN3O5 MolecularWeight: 455.89088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22ClN3O5/c1-2-3-9-26-13-18(22(29)27(23(26)30)17-6-4-5-16(24)11-17)21(28)25-12-15-7-8-19-20(10-15)32-14-31-19/h4-8,10-11,13H,2-3,9,12,14H2,1H3,(H,25,28)