N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-(4-piperonylpiperazine-1-carbonyl)phenyl]-2-furamide Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C25H25N3O5/c1-17-4-6-19(14-20(17)26-24(29)22-3-2-12-31-22)25(30)28-10-8-27(9-11-28)15-18-5-7-21-23(13-18)33-16-32-21/h2-7,12-14H,8-11,15-16H2,1H3,(H,26,29)