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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]butanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]butyramide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-3-4-18(22)19-12-15(21-9-7-20(2)8-10-21)14-5-6-16-17(11-14)24-13-23-16/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3,(H,19,22)