N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-ethoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-ethoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-4-ethoxy-benzamide Formula: C28H31N3O4 MolecularWeight: 473.56344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4/c1-2-33-24-11-8-21(9-12-24)28(32)29-19-25(22-10-13-26-27(18-22)35-20-34-26)31-16-14-30(15-17-31)23-6-4-3-5-7-23/h3-13,18,25H,2,14-17,19-20H2,1H3,(H,29,32)