N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylbutanoyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylbutanoyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methyl-1-oxobutyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methylbutanoyl)piperazine-2-carboxamide Traditional Name: 4-isovaleryl-N-piperonyl-piperazine-2-carboxamide Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCNC(C1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)N1CCNC(C1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O4/c1-12(2)7-17(22)21-6-5-19-14(10-21)18(23)20-9-13-3-4-15-16(8-13)25-11-24-15/h3-4,8,12,14,19H,5-7,9-11H2,1-2H3,(H,20,23)