N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylbutanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-3-methyl-butyramide Formula: C19H29N3O3 MolecularWeight: 347.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

Isomeric SMILES

CC(C)CC(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

InChI

InChI=1S/C19H29N3O3/c1-14(2)10-19(23)20-12-16(22-8-6-21(3)7-9-22)15-4-5-17-18(11-15)25-13-24-17/h4-5,11,14,16H,6-10,12-13H2,1-3H3,(H,20,23)