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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-3,4-dimethoxy-benzamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H31N3O5/c1-33-24-10-9-21(17-26(24)34-2)28(32)29-18-23(20-8-11-25-27(16-20)36-19-35-25)31-14-12-30(13-15-31)22-6-4-3-5-7-22/h3-11,16-17,23H,12-15,18-19H2,1-2H3,(H,29,32)